| CAS Number | 861210-09-5 |
| Catalog Number | AG00IXVF(AGN-PC-0WASLF) |
| Chemical Name | (1-[4-(Aminomethyl)phenyl]piperidin-4-yl)methanol |
| IUPAC Name | [1-[4-(aminomethyl)phenyl]piperidin-4-yl]methanol |
| InChI | InChI=1S/C13H20N2O/c14-9-11-1-3-13(4-2-11)15-7-5-12(10-16)6-8-15/h1-4,12,16H,5-10,14H2 |
| InChI Key | PVMCVZYYRXYSKG-UHFFFAOYSA-N |
| MDL Number | MFCD03787065 |
| Molecular Formula | C13H20N2O |
| Molecular Weight | 220.3107 |
| SMILES | NCC1=CC=C(N2CCC(CO)CC2)C=C1 |
| Synonyms | {1-[4-(aminomethyl)phenyl]piperidin-4-yl}methanol,
861210-09-5,
(1-[4-(aminomethyl)phenyl]piperidin-4-yl)methanol,
{1-[4-(aminomethyl)phenyl]-4-piperidinyl}methanol,
CTK8A3108,
KS-00001V1C,
ZINC4051706,
AKOS009289191,
MCULE-7292399722,
NE29951,
EN300-44175,
2W-0279,
Z451350458,
(1-[4-(aminomethyl)phenyl]piperidin-4-yl)methanol, AldrichCPR,
AC1LSXAG,
AC1Q53XY,
CID1472924,
[1-[4-(aminomethyl)phenyl]piperidin-4-yl]methanol,
[1-[4-(aminomethyl)phenyl]-4-piperidyl]methanol,
|
| Complexity | 194 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 220.157563g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 220.31g/mol |
| Monoisotopic Mass | 220.157563g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 49.5Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number