1-[(5-chloro-2-pyridinyl)methyl]piperidin-4-amine

C11H16ClN3 — CID 175660028

IUPAC1-[(5-chloro-2-pyridinyl)methyl]piperidin-4-amine
SMILESNC1CCN(Cc2ccc(Cl)cn2)CC1
InChIInChI=1S/C11H16ClN3/c12-9-1-2-11(14-7-9)8-15-5-3-10(13)4-6-15/h1-2,7,10H,3-6,8,13H2
InChIKeyMNPLLRQRWJJDRB-UHFFFAOYSA-N
MW225.72 g/mol
LogP1.66
Rot. Bonds2

About 1-[(5-chloro-2-pyridinyl)methyl]piperidin-4-amine

1-[(5-chloro-2-pyridinyl)methyl]piperidin-4-amine (PubChem CID 175660028) has the molecular formula C11H16ClN3 and a molecular weight of 225.72 g/mol. Its IUPAC name is 1-[(5-chloro-2-pyridinyl)methyl]piperidin-4-amine.

Molecular Properties

Compound Name1-[(5-chloro-2-pyridinyl)methyl]piperidin-4-amine
PubChem CID175660028
Molecular FormulaC11H16ClN3
Molecular Weight225.72 g/mol
Exact Mass225.10
IUPAC Name1-[(5-chloro-2-pyridinyl)methyl]piperidin-4-amine
SMILESNC1CCN(Cc2ccc(Cl)cn2)CC1
InChIInChI=1S/C11H16ClN3/c12-9-1-2-11(14-7-9)8-15-5-3-10(13)4-6-15/h1-2,7,10H,3-6,8,13H2
InChIKeyMNPLLRQRWJJDRB-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

Analyze 1-[(5-chloro-2-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

Frequently Asked Questions

What is the IUPAC name of 1-[(5-chloro-2-pyridinyl)methyl]piperidin-4-amine?
The IUPAC name of 1-[(5-chloro-2-pyridinyl)methyl]piperidin-4-amine (CID 175660028) is 1-[(5-chloro-2-pyridinyl)methyl]piperidin-4-amine.
What is the SMILES notation for 1-[(5-chloro-2-pyridinyl)methyl]piperidin-4-amine?
The canonical SMILES for 1-[(5-chloro-2-pyridinyl)methyl]piperidin-4-amine is NC1CCN(Cc2ccc(Cl)cn2)CC1.
What is the InChIKey of 1-[(5-chloro-2-pyridinyl)methyl]piperidin-4-amine?
The InChIKey is MNPLLRQRWJJDRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3/c12-9-1-2-11(14-7-9)8-15-5-3-10(13)4-6-15/h1-2,7,10H,3-6,8,13H2.
What are the key properties of 1-[(5-chloro-2-pyridinyl)methyl]piperidin-4-amine?
1-[(5-chloro-2-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-[(5-chloro-2-pyridinyl)methyl]piperidin-4-amine is sourced from PubChem (CID 175660028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).