[1-[2-(aminomethyl)-5-chlorophenyl]piperidin-3-yl]methanol

C13H19ClN2O — CID 63082651

IUPAC[1-[2-(aminomethyl)-5-chlorophenyl]piperidin-3-yl]methanol
SMILESNCc1ccc(Cl)cc1N1CCCC(CO)C1
InChIInChI=1S/C13H19ClN2O/c14-12-4-3-11(7-15)13(6-12)16-5-1-2-10(8-16)9-17/h3-4,6,10,17H,1-2,5,7-9,15H2
InChIKeyJFYARUDBQWDYNO-UHFFFAOYSA-N
MW254.76 g/mol
LogP2.01
Rot. Bonds3

About [1-[2-(aminomethyl)-5-chlorophenyl]piperidin-3-yl]methanol

[1-[2-(aminomethyl)-5-chlorophenyl]piperidin-3-yl]methanol (PubChem CID 63082651) has the molecular formula C13H19ClN2O and a molecular weight of 254.76 g/mol. Its IUPAC name is [1-[2-(aminomethyl)-5-chlorophenyl]piperidin-3-yl]methanol.

Molecular Properties

Compound Name[1-[2-(aminomethyl)-5-chlorophenyl]piperidin-3-yl]methanol
PubChem CID63082651
Molecular FormulaC13H19ClN2O
Molecular Weight254.76 g/mol
Exact Mass254.12
IUPAC Name[1-[2-(aminomethyl)-5-chlorophenyl]piperidin-3-yl]methanol
SMILESNCc1ccc(Cl)cc1N1CCCC(CO)C1
InChIInChI=1S/C13H19ClN2O/c14-12-4-3-11(7-15)13(6-12)16-5-1-2-10(8-16)9-17/h3-4,6,10,17H,1-2,5,7-9,15H2
InChIKeyJFYARUDBQWDYNO-UHFFFAOYSA-N
XLogP2.01
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.76
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze [1-[2-(aminomethyl)-5-chlorophenyl]piperidin-3-yl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[1-[2-(aminomethyl)-4-chlorophenyl]pyrrolidin-3-yl]methanol
CID 112624254
[5-chloro-2-[3-(methoxymethyl)piperidin-1-yl]phenyl]methanamine
CID 106585917
[4-chloro-2-(3-piperidin-1-ylpyrrolidin-1-yl)phenyl]methanamine
CID 63172008
2-[4-[2-(aminomethyl)-5-chlorophenyl]-1,4-diazepan-1-yl]ethanol
CID 107214036
[4-chloro-2-(4-methoxypiperidin-1-yl)phenyl]methanamine
CID 63082823
(4-chloro-2-piperazin-1-ylphenyl)methanamine
CID 63082137
[1-[2-(aminomethyl)-3-fluorophenyl]piperidin-3-yl]methanol
CID 79516188
[5-chloro-2-(3-methylpiperidin-1-yl)phenyl]methanamine
CID 10586057
[1-[3-chloro-4-(hydroxymethyl)phenyl]piperidin-3-yl]methanol
CID 114064234
[4-chloro-2-(4-propylpiperidin-1-yl)phenyl]methanamine
CID 63081802
2-[2-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-4-chlorophenyl]ethanamine
CID 114861027
[1-[3-(aminomethyl)-2,6-dimethyl-4-pyridinyl]piperidin-3-yl]methanol
CID 81050851

Frequently Asked Questions

What is the IUPAC name of [1-[2-(aminomethyl)-5-chlorophenyl]piperidin-3-yl]methanol?
The IUPAC name of [1-[2-(aminomethyl)-5-chlorophenyl]piperidin-3-yl]methanol (CID 63082651) is [1-[2-(aminomethyl)-5-chlorophenyl]piperidin-3-yl]methanol.
What is the SMILES notation for [1-[2-(aminomethyl)-5-chlorophenyl]piperidin-3-yl]methanol?
The canonical SMILES for [1-[2-(aminomethyl)-5-chlorophenyl]piperidin-3-yl]methanol is NCc1ccc(Cl)cc1N1CCCC(CO)C1.
What is the InChIKey of [1-[2-(aminomethyl)-5-chlorophenyl]piperidin-3-yl]methanol?
The InChIKey is JFYARUDBQWDYNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O/c14-12-4-3-11(7-15)13(6-12)16-5-1-2-10(8-16)9-17/h3-4,6,10,17H,1-2,5,7-9,15H2.
What are the key properties of [1-[2-(aminomethyl)-5-chlorophenyl]piperidin-3-yl]methanol?
[1-[2-(aminomethyl)-5-chlorophenyl]piperidin-3-yl]methanol has a molecular weight of 254.76 g/mol, XLogP of 2.01, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(aminomethyl)-5-chlorophenyl]piperidin-3-yl]methanol is sourced from PubChem (CID 63082651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).