AG00EM1K

61477-94-9 | 4-[(2R,6S)-2,6-dimethyl-1-piperidyl]-1-phenyl-1-pyridin-2-yl-butan-1-o l hydrochloride

AG00EM1K

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CAS Number	61477-94-9
Catalog Number	AG00EM1K(AGN-PC-0T0LCB)
Chemical Name	4-[(2R,6S)-2,6-dimethyl-1-piperidyl]-1-phenyl-1-pyridin-2-yl-butan-1-o l hydrochloride
IUPAC Name	4-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-1-phenyl-1-pyridin-2-ylbutan-1-ol;hydrochloride
InChI	InChI=1S/C22H30N2O.ClH/c1-18-10-8-11-19(2)24(18)17-9-15-22(25,20-12-4-3-5-13-20)21-14-6-7-16-23-21;/h3-7,12-14,16,18-19,25H,8-11,15,17H2,1-2H3;1H/t18-,19+,22?;
InChI Key	HFIHPVIVQSWZBV-ROSXHPEZSA-N
MDL Number	MFCD01691662
Molecular Formula	C22H31ClN2O
Molecular Weight	374.9473
SMILES	OC(C1=NC=CC=C1)(C2=CC=CC=C2)CCCN3[C@H](C)CCC[C@@H]3C.[H]Cl
Synonyms	CI 845, cis-alpha-(3-(2,6-dimethyl-1-piperidinyl)propyl)-alpha-phenyl-2-pyridinemethanol monohydrochloride, pirmenol, pirmenol hydrochloride, pirmenol hydrochloride, 61477-94-9, Pirmenol.HCl, PIRMENOL, Pirmavar, Pirmenol (hydrochloride), Pirmenol hydrochloride [USAN], CI 845, 4-((2R,6S)-2,6-Dimethylpiperidin-1-yl)-1-phenyl-1-(pyridin-2-yl)butan-1-ol hydrochloride, 4-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-1-phenyl-1-pyridin-2-ylbutan-1-ol hydrochloride, Pirmenol hydrochloride (USAN), CCRIS 5234, Cl 845, Pirmenol hydrochloride monohydrate, Pimenol, Pimavar, (+-)-cis-2,6-Dimethyl-alpha-phenyl-alpha-2-pyridyl-1-piperidinebutanol monohydrochloride, 1-Piperidinebutanol, 2,6-dimethyl-alpha-phenyl-alpha-(2-pyridyl)-, hydrochloride, Z-(+-)-, Pirmavar (TN), Piremenol Hydrochloride, AC1L23DA, C22H30N2O.HCl, DTXSID6021169, SCHEMBL11614054, 4-[(2R,6S)-2,6-dimethyl-1-piperidyl]-1-phenyl-1-pyridin-2-yl-butan-1-o l hydrochloride, 2-Pyridinemethanol, alpha-(3-(2,6-dimethyl-1-piperidinyl)propyl)-alpha-phenyl-, monohydrochloride, cis-, (+-)-, 2-Pyridinemethanol, alpha-(3-(2,6-dimethyl-1-piperidinyl)propyl)-alpha-phenyl-, monohydrochloride, Z-(+-)-, CI-845, API0003876, CS-6007, HY-100795A, 2-Pyridinemethanol, alpha-(3-(2,6-dimethyl-1-piperidinyl)propyl)-alpha-phenyl-, monohydrochloride, cis-(+-)-, cis-alpha-(3-(2,6-dimethyl-1-piperidinyl)propyl)-alpha-phenyl-2-pyridinemethanol monohydrochloride, AX8093029, LS-131705, D06517, Cl-845;( inverted exclamation markA)-Pirmenol hydrochloride, (+/-)-1-Phenyl-1-(2-pyridyl)-4-(cis-2,6-dimethyl-1-piperidyl)butanol, 4-[(2R,6S)-2,6-dimethyl-1-piperidyl]-1-phenyl-1-pyridin-2-yl-butan-1-olhydrochloride, 2-Pyridinemethanol, alpha-(3-(2,6-dimethyl-1-piperidinyl)propyl)-alpha-phenyl-,monohydrochloride, Z-(+-)-, Pirmenol HCl, UNII-JA79OMG4QT, D0T7WL, C22-H30-N2-O.Cl-H, CID65501, C024318, 4-[(2s,6r)-2,6-dimethylpiperidin-1-yl]-1-phenyl-1-pyridin-2-, 4-[ -2,6-dimethyl-1-piperidyl]-1-phenyl-1-pyridin-2-yl-butan-1-olhydrochloride,

Complexity	386
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Exact Mass	374.212g/mol
Formal Charge	0
Heavy Atom Count	26
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	374.953g/mol
Monoisotopic Mass	374.212g/mol
Rotatable Bond Count	6
Topological Polar Surface Area	36.4A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number