N-[(6-chloro-3-pyridinyl)methyl]-1-[(3S)-piperidin-3-yl]methanamine

C12H18ClN3 — CID 97163567

IUPACN-[(6-chloro-3-pyridinyl)methyl]-1-[(3S)-piperidin-3-yl]methanamine
SMILESClc1ccc(CNC[C@H]2CCCNC2)cn1
InChIInChI=1S/C12H18ClN3/c13-12-4-3-11(9-16-12)8-15-7-10-2-1-5-14-6-10/h3-4,9-10,14-15H,1-2,5-8H2/t10-/m0/s1
InChIKeyQYEILNCZKVITGJ-JTQLQIEISA-N
MW239.75 g/mol
LogP1.82
Rot. Bonds4

About N-[(6-chloro-3-pyridinyl)methyl]-1-[(3S)-piperidin-3-yl]methanamine

N-[(6-chloro-3-pyridinyl)methyl]-1-[(3S)-piperidin-3-yl]methanamine (PubChem CID 97163567) has the molecular formula C12H18ClN3 and a molecular weight of 239.75 g/mol. Its IUPAC name is N-[(6-chloro-3-pyridinyl)methyl]-1-[(3S)-piperidin-3-yl]methanamine.

Molecular Properties

Compound NameN-[(6-chloro-3-pyridinyl)methyl]-1-[(3S)-piperidin-3-yl]methanamine
PubChem CID97163567
Molecular FormulaC12H18ClN3
Molecular Weight239.75 g/mol
Exact Mass239.12
IUPAC NameN-[(6-chloro-3-pyridinyl)methyl]-1-[(3S)-piperidin-3-yl]methanamine
SMILESClc1ccc(CNC[C@H]2CCCNC2)cn1
InChIInChI=1S/C12H18ClN3/c13-12-4-3-11(9-16-12)8-15-7-10-2-1-5-14-6-10/h3-4,9-10,14-15H,1-2,5-8H2/t10-/m0/s1
InChIKeyQYEILNCZKVITGJ-JTQLQIEISA-N
XLogP1.82
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.75
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze N-[(6-chloro-3-pyridinyl)methyl]-1-[(3S)-piperidin-3-yl]methanamine 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

N-[(6-chloro-3-pyridinyl)methyl]-1-[(3R)-piperidin-3-yl]methanamine
CID 97163566
(3S)-N-[(6-chloro-3-pyridinyl)methyl]piperidin-3-amine;hydrochloride
CID 71639863
N-[(3-chlorophenyl)methyl]-1-[(3S)-piperidin-3-yl]methanamine
CID 95731896
1-piperidin-3-yl-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]methanamine
CID 83962741
N-[(4-methoxyphenyl)methyl]-1-piperidin-3-ylmethanamine
CID 80553020
4-[(piperidin-3-ylmethylamino)methyl]benzenesulfonamide
CID 80553043
N-ethyl-N-[[4-[(piperidin-3-ylmethylamino)methyl]phenyl]methyl]ethanamine
CID 80553737
2-chloro-5-[[(3R)-piperidin-3-yl]oxymethyl]pyridine
CID 71639891
2-chloro-5-(piperidin-3-ylsulfonylmethyl)pyridine
CID 71639929
2-chloro-5-[[(3S)-piperidin-3-yl]oxymethyl]pyridine;hydrochloride
CID 71639892
N-[(6-chloro-3-pyridinyl)methyl]-1-(oxan-2-yl)methanamine
CID 115683652
2-chloro-5-[[(3R)-piperidin-3-yl]oxymethyl]pyridine;hydrochloride
CID 71639890

Frequently Asked Questions

What is the IUPAC name of N-[(6-chloro-3-pyridinyl)methyl]-1-[(3S)-piperidin-3-yl]methanamine?
The IUPAC name of N-[(6-chloro-3-pyridinyl)methyl]-1-[(3S)-piperidin-3-yl]methanamine (CID 97163567) is N-[(6-chloro-3-pyridinyl)methyl]-1-[(3S)-piperidin-3-yl]methanamine.
What is the SMILES notation for N-[(6-chloro-3-pyridinyl)methyl]-1-[(3S)-piperidin-3-yl]methanamine?
The canonical SMILES for N-[(6-chloro-3-pyridinyl)methyl]-1-[(3S)-piperidin-3-yl]methanamine is Clc1ccc(CNC[C@H]2CCCNC2)cn1.
What is the InChIKey of N-[(6-chloro-3-pyridinyl)methyl]-1-[(3S)-piperidin-3-yl]methanamine?
The InChIKey is QYEILNCZKVITGJ-JTQLQIEISA-N. The full InChI is InChI=1S/C12H18ClN3/c13-12-4-3-11(9-16-12)8-15-7-10-2-1-5-14-6-10/h3-4,9-10,14-15H,1-2,5-8H2/t10-/m0/s1.
What are the key properties of N-[(6-chloro-3-pyridinyl)methyl]-1-[(3S)-piperidin-3-yl]methanamine?
N-[(6-chloro-3-pyridinyl)methyl]-1-[(3S)-piperidin-3-yl]methanamine has a molecular weight of 239.75 g/mol, XLogP of 1.82, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-chloro-3-pyridinyl)methyl]-1-[(3S)-piperidin-3-yl]methanamine is sourced from PubChem (CID 97163567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).