AG00C9G6

346688-38-8 | 4-[3-(Methylsulfonyl)phenyl]-1-propylpiperidine

AG00C9G6

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CAS Number	346688-38-8
Catalog Number	AG00C9G6(AGN-PC-0BMHVB)
Chemical Name	4-[3-(Methylsulfonyl)phenyl]-1-propylpiperidine
IUPAC Name	4-(3-methylsulfonylphenyl)-1-propylpiperidine
InChI	InChI=1S/C15H23NO2S/c1-3-9-16-10-7-13(8-11-16)14-5-4-6-15(12-14)19(2,17)18/h4-6,12-13H,3,7-11H2,1-2H3
InChI Key	YGKUEOZJFIXDGI-UHFFFAOYSA-N
MDL Number	MFCD09835586
Molecular Formula	C15H23NO2S
Molecular Weight	281.4136
SMILES	CCCN1CCC(C2=CC=CC(S(=O)(C)=O)=C2)CC1
UNII	HD4TW8S2VK
Synonyms	4-(3-(methylsulfonyl)phenyl)-1-propylpiperidine, 4-(3-methanesulfonylphenyl)-1-propylpiperidine, ACR16 compound, huntexil, pridopidine, PRIDOPIDINE, 346688-38-8, 4-[3-(Methylsulfonyl)phenyl]-1-propylpiperidine, 4-(3-(Methylsulfonyl)phenyl)-1-propylpiperidine, ACR-16, UNII-HD4TW8S2VK, ACR16, ACR 16, HD4TW8S2VK, CHEMBL596802, FR310826, Pridopidine [USAN:INN], Pridopidine (USAN/INN), 4-(3-Methanesulfonyl-phenyl)-1-propyl-piperidine, SCHEMBL166748, CTK4H2809, DTXSID90188225, ASP 2314, BDBM50308028, MFCD09835586, ZINC22063703, AKOS015891431, DB11947, NCGC00386586-01, AJ-80925, AK136772, AS-50146, HY-10684, AX8258340, DB-014417, FR 310826, CS-0002733, FT-0672149, 4-(3-Methylsulfonylphenyl)-1-propylpiperidine, D09953, I01-9534, Piperidine, 4-(3-(methylsulfonyl)phenyl)-1-propyl-, Huntexil, ACR16 compound, Pridopidine [USAN], D01FNJ, D0F4SY, PRIDOPIDINE HYDROCHLORIDE, ASP-2314, CID9795739, FR-310826, Dopamine modulator (schizophrenia), Astellas, Dopamine modulator (schizophrenia), Fujisawa, 4-(3-methylsulfonylphenyl)-1-propyl-piperidine, Dopamine modulator (Huntingtons disease), NeuroSearch, Piperidine, 4-[3-(methylsulfonyl)phenyl]-1-propyl-, Dopamine modulator (neurological disorders), Merck & Co, Dopamine modulator (Huntingtons disease), Carlsson Research,

Complexity	366
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	281.145g/mol
Formal Charge	0
Heavy Atom Count	19
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	281.414g/mol
Monoisotopic Mass	281.145g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	45.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

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