N-[(3-chlorophenyl)methyl]-1-[(3S)-piperidin-3-yl]methanamine

C13H19ClN2 — CID 95731896

IUPACN-[(3-chlorophenyl)methyl]-1-[(3S)-piperidin-3-yl]methanamine
SMILESClc1cccc(CNC[C@H]2CCCNC2)c1
InChIInChI=1S/C13H19ClN2/c14-13-5-1-3-11(7-13)8-16-10-12-4-2-6-15-9-12/h1,3,5,7,12,15-16H,2,4,6,8-10H2/t12-/m0/s1
InChIKeyLXZUYDDWGZWIRD-LBPRGKRZSA-N
MW238.76 g/mol
LogP2.43
Rot. Bonds4

About N-[(3-chlorophenyl)methyl]-1-[(3S)-piperidin-3-yl]methanamine

N-[(3-chlorophenyl)methyl]-1-[(3S)-piperidin-3-yl]methanamine (PubChem CID 95731896) has the molecular formula C13H19ClN2 and a molecular weight of 238.76 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]-1-[(3S)-piperidin-3-yl]methanamine.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methyl]-1-[(3S)-piperidin-3-yl]methanamine
PubChem CID95731896
Molecular FormulaC13H19ClN2
Molecular Weight238.76 g/mol
Exact Mass238.12
IUPAC NameN-[(3-chlorophenyl)methyl]-1-[(3S)-piperidin-3-yl]methanamine
SMILESClc1cccc(CNC[C@H]2CCCNC2)c1
InChIInChI=1S/C13H19ClN2/c14-13-5-1-3-11(7-13)8-16-10-12-4-2-6-15-9-12/h1,3,5,7,12,15-16H,2,4,6,8-10H2/t12-/m0/s1
InChIKeyLXZUYDDWGZWIRD-LBPRGKRZSA-N
XLogP2.43
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.76
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(piperidin-3-ylmethylamino)methyl]benzamide
CID 80553685
N-[[3-(2-bromo-4-chlorophenyl)phenyl]methyl]-1-pyrrolidin-3-ylmethanamine
CID 135174667
N-[(6-chloro-3-pyridinyl)methyl]-1-[(3S)-piperidin-3-yl]methanamine
CID 97163567
N-[(6-chloro-3-pyridinyl)methyl]-1-[(3R)-piperidin-3-yl]methanamine
CID 97163566
4-[[(3-chlorophenyl)methylamino]methyl]pyrrolidin-3-ol;hydrochloride
CID 120962488
2-(3-methylphenyl)-N-(piperidin-3-ylmethyl)ethanamine
CID 80555044
N-benzyl-1-[(3S)-pyrrolidin-3-yl]methanamine
CID 10726362
1-piperidin-3-yl-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]methanamine
CID 83962741
N-[(4-methoxy-3-methylphenyl)methyl]-1-piperidin-3-ylmethanamine
CID 115209615
(2R,3R,4S)-2-[[(3-chlorophenyl)methylamino]methyl]pyrrolidine-3,4-diol
CID 11097212
N-[(4-methoxyphenyl)methyl]-1-piperidin-3-ylmethanamine
CID 80553020
2-(3-chlorophenyl)-1-piperidin-3-ylethanone
CID 82083987

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)methyl]-1-[(3S)-piperidin-3-yl]methanamine?
The IUPAC name of N-[(3-chlorophenyl)methyl]-1-[(3S)-piperidin-3-yl]methanamine (CID 95731896) is N-[(3-chlorophenyl)methyl]-1-[(3S)-piperidin-3-yl]methanamine.
What is the SMILES notation for N-[(3-chlorophenyl)methyl]-1-[(3S)-piperidin-3-yl]methanamine?
The canonical SMILES for N-[(3-chlorophenyl)methyl]-1-[(3S)-piperidin-3-yl]methanamine is Clc1cccc(CNC[C@H]2CCCNC2)c1.
What is the InChIKey of N-[(3-chlorophenyl)methyl]-1-[(3S)-piperidin-3-yl]methanamine?
The InChIKey is LXZUYDDWGZWIRD-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H19ClN2/c14-13-5-1-3-11(7-13)8-16-10-12-4-2-6-15-9-12/h1,3,5,7,12,15-16H,2,4,6,8-10H2/t12-/m0/s1.
What are the key properties of N-[(3-chlorophenyl)methyl]-1-[(3S)-piperidin-3-yl]methanamine?
N-[(3-chlorophenyl)methyl]-1-[(3S)-piperidin-3-yl]methanamine has a molecular weight of 238.76 g/mol, XLogP of 2.43, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)methyl]-1-[(3S)-piperidin-3-yl]methanamine is sourced from PubChem (CID 95731896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).