(2-chloro-4-piperazin-1-ylphenyl)methanamine

C11H16ClN3 — CID 62945857

IUPAC(2-chloro-4-piperazin-1-ylphenyl)methanamine
SMILESNCc1ccc(N2CCNCC2)cc1Cl
InChIInChI=1S/C11H16ClN3/c12-11-7-10(2-1-9(11)8-13)15-5-3-14-4-6-15/h1-2,7,14H,3-6,8,13H2
InChIKeyLMFZULNSMXMCQW-UHFFFAOYSA-N
MW225.72 g/mol
LogP1.21
Rot. Bonds2

About (2-chloro-4-piperazin-1-ylphenyl)methanamine

(2-chloro-4-piperazin-1-ylphenyl)methanamine (PubChem CID 62945857) has the molecular formula C11H16ClN3 and a molecular weight of 225.72 g/mol. Its IUPAC name is (2-chloro-4-piperazin-1-ylphenyl)methanamine.

Molecular Properties

Compound Name(2-chloro-4-piperazin-1-ylphenyl)methanamine
PubChem CID62945857
Molecular FormulaC11H16ClN3
Molecular Weight225.72 g/mol
Exact Mass225.10
IUPAC Name(2-chloro-4-piperazin-1-ylphenyl)methanamine
SMILESNCc1ccc(N2CCNCC2)cc1Cl
InChIInChI=1S/C11H16ClN3/c12-11-7-10(2-1-9(11)8-13)15-5-3-14-4-6-15/h1-2,7,14H,3-6,8,13H2
InChIKeyLMFZULNSMXMCQW-UHFFFAOYSA-N
XLogP1.21
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.72
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2-chloro-4-piperazin-1-ylphenyl)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 (2-chloro-4-piperazin-1-ylphenyl)methanamine?
The IUPAC name of (2-chloro-4-piperazin-1-ylphenyl)methanamine (CID 62945857) is (2-chloro-4-piperazin-1-ylphenyl)methanamine.
What is the SMILES notation for (2-chloro-4-piperazin-1-ylphenyl)methanamine?
The canonical SMILES for (2-chloro-4-piperazin-1-ylphenyl)methanamine is NCc1ccc(N2CCNCC2)cc1Cl.
What is the InChIKey of (2-chloro-4-piperazin-1-ylphenyl)methanamine?
The InChIKey is LMFZULNSMXMCQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3/c12-11-7-10(2-1-9(11)8-13)15-5-3-14-4-6-15/h1-2,7,14H,3-6,8,13H2.
What are the key properties of (2-chloro-4-piperazin-1-ylphenyl)methanamine?
(2-chloro-4-piperazin-1-ylphenyl)methanamine has a molecular weight of 225.72 g/mol, XLogP of 1.21, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-4-piperazin-1-ylphenyl)methanamine is sourced from PubChem (CID 62945857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).