1-[(6-chloro-3-pyridinyl)methyl]piperidin-4-amine

C11H16ClN3 — CID 43556713

IUPAC1-[(6-chloro-3-pyridinyl)methyl]piperidin-4-amine
SMILESNC1CCN(Cc2ccc(Cl)nc2)CC1
InChIInChI=1S/C11H16ClN3/c12-11-2-1-9(7-14-11)8-15-5-3-10(13)4-6-15/h1-2,7,10H,3-6,8,13H2
InChIKeyKMDVUQIDTIHMKV-UHFFFAOYSA-N
MW225.72 g/mol
LogP1.66
Rot. Bonds2

About 1-[(6-chloro-3-pyridinyl)methyl]piperidin-4-amine

1-[(6-chloro-3-pyridinyl)methyl]piperidin-4-amine (PubChem CID 43556713) has the molecular formula C11H16ClN3 and a molecular weight of 225.72 g/mol. Its IUPAC name is 1-[(6-chloro-3-pyridinyl)methyl]piperidin-4-amine.

Molecular Properties

Compound Name1-[(6-chloro-3-pyridinyl)methyl]piperidin-4-amine
PubChem CID43556713
Molecular FormulaC11H16ClN3
Molecular Weight225.72 g/mol
Exact Mass225.10
IUPAC Name1-[(6-chloro-3-pyridinyl)methyl]piperidin-4-amine
SMILESNC1CCN(Cc2ccc(Cl)nc2)CC1
InChIInChI=1S/C11H16ClN3/c12-11-2-1-9(7-14-11)8-15-5-3-10(13)4-6-15/h1-2,7,10H,3-6,8,13H2
InChIKeyKMDVUQIDTIHMKV-UHFFFAOYSA-N
XLogP1.66
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.72
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-[(6-chloro-3-pyridinyl)methyl]piperidin-4-amine 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

2-[1-[(6-chloro-3-pyridinyl)methyl]piperidin-4-yl]acetamide
CID 54949208
1-[(6-bromo-3-pyridinyl)methyl]piperidin-4-amine;hydrochloride
CID 71644395
1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]piperidin-4-amine
CID 175659850
1,7-bis[(6-chloro-3-pyridinyl)methyl]-1,4,7,10-tetrazacyclododecane
CID 102314847
1-[1-[(6-chloro-3-pyridinyl)methyl]pyrrolidin-3-yl]ethanamine
CID 112630186
1-[(6-chloro-3-pyridinyl)methyl]-4-methylpiperidin-3-ol
CID 103898564
1-[(4-methylphenyl)methyl]piperidin-4-amine;hydrochloride
CID 17221614
1-[(6-chloro-3-pyridinyl)methyl]-4-methylsulfonylpiperazine
CID 35150863
4-[(6-chloro-3-pyridinyl)methyl]-1,4-thiazepane
CID 60773865
5-[(4-aminopiperidin-1-yl)methyl]-N-methyl-N-propan-2-ylpyridin-2-amine;hydrochloride
CID 120834439
(3R)-1-[(6-chloro-3-pyridinyl)methyl]-N-methylpiperidin-3-amine
CID 94476054
1-[(5-chloro-2-pyridinyl)methyl]piperidin-4-amine
CID 175660028

Frequently Asked Questions

What is the IUPAC name of 1-[(6-chloro-3-pyridinyl)methyl]piperidin-4-amine?
The IUPAC name of 1-[(6-chloro-3-pyridinyl)methyl]piperidin-4-amine (CID 43556713) is 1-[(6-chloro-3-pyridinyl)methyl]piperidin-4-amine.
What is the SMILES notation for 1-[(6-chloro-3-pyridinyl)methyl]piperidin-4-amine?
The canonical SMILES for 1-[(6-chloro-3-pyridinyl)methyl]piperidin-4-amine is NC1CCN(Cc2ccc(Cl)nc2)CC1.
What is the InChIKey of 1-[(6-chloro-3-pyridinyl)methyl]piperidin-4-amine?
The InChIKey is KMDVUQIDTIHMKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3/c12-11-2-1-9(7-14-11)8-15-5-3-10(13)4-6-15/h1-2,7,10H,3-6,8,13H2.
What are the key properties of 1-[(6-chloro-3-pyridinyl)methyl]piperidin-4-amine?
1-[(6-chloro-3-pyridinyl)methyl]piperidin-4-amine has a molecular weight of 225.72 g/mol, XLogP of 1.66, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-chloro-3-pyridinyl)methyl]piperidin-4-amine is sourced from PubChem (CID 43556713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).