[1-(3,5-dichloro-4-pyridinyl)piperidin-4-yl]methanamine

C11H15Cl2N3 — CID 45275783

IUPAC[1-(3,5-dichloro-4-pyridinyl)piperidin-4-yl]methanamine
SMILESNCC1CCN(c2c(Cl)cncc2Cl)CC1
InChIInChI=1S/C11H15Cl2N3/c12-9-6-15-7-10(13)11(9)16-3-1-8(5-14)2-4-16/h6-8H,1-5,14H2
InChIKeyKUAOHWXOXFEZAJ-UHFFFAOYSA-N
MW260.17 g/mol
LogP2.56
Rot. Bonds2

About [1-(3,5-dichloro-4-pyridinyl)piperidin-4-yl]methanamine

[1-(3,5-dichloro-4-pyridinyl)piperidin-4-yl]methanamine (PubChem CID 45275783) has the molecular formula C11H15Cl2N3 and a molecular weight of 260.17 g/mol. Its IUPAC name is [1-(3,5-dichloro-4-pyridinyl)piperidin-4-yl]methanamine.

Molecular Properties

Compound Name[1-(3,5-dichloro-4-pyridinyl)piperidin-4-yl]methanamine
PubChem CID45275783
Molecular FormulaC11H15Cl2N3
Molecular Weight260.17 g/mol
Exact Mass259.06
IUPAC Name[1-(3,5-dichloro-4-pyridinyl)piperidin-4-yl]methanamine
SMILESNCC1CCN(c2c(Cl)cncc2Cl)CC1
InChIInChI=1S/C11H15Cl2N3/c12-9-6-15-7-10(13)11(9)16-3-1-8(5-14)2-4-16/h6-8H,1-5,14H2
InChIKeyKUAOHWXOXFEZAJ-UHFFFAOYSA-N
XLogP2.56
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.17
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [1-(3,5-dichloro-4-pyridinyl)piperidin-4-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

Frequently Asked Questions

What is the IUPAC name of [1-(3,5-dichloro-4-pyridinyl)piperidin-4-yl]methanamine?
The IUPAC name of [1-(3,5-dichloro-4-pyridinyl)piperidin-4-yl]methanamine (CID 45275783) is [1-(3,5-dichloro-4-pyridinyl)piperidin-4-yl]methanamine.
What is the SMILES notation for [1-(3,5-dichloro-4-pyridinyl)piperidin-4-yl]methanamine?
The canonical SMILES for [1-(3,5-dichloro-4-pyridinyl)piperidin-4-yl]methanamine is NCC1CCN(c2c(Cl)cncc2Cl)CC1.
What is the InChIKey of [1-(3,5-dichloro-4-pyridinyl)piperidin-4-yl]methanamine?
The InChIKey is KUAOHWXOXFEZAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15Cl2N3/c12-9-6-15-7-10(13)11(9)16-3-1-8(5-14)2-4-16/h6-8H,1-5,14H2.
What are the key properties of [1-(3,5-dichloro-4-pyridinyl)piperidin-4-yl]methanamine?
[1-(3,5-dichloro-4-pyridinyl)piperidin-4-yl]methanamine has a molecular weight of 260.17 g/mol, XLogP of 2.56, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3,5-dichloro-4-pyridinyl)piperidin-4-yl]methanamine is sourced from PubChem (CID 45275783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).