[3-chloro-4-(3-methylpiperidin-1-yl)phenyl]methanamine

C13H19ClN2 — CID 63087843

IUPAC[3-chloro-4-(3-methylpiperidin-1-yl)phenyl]methanamine
SMILESCC1CCCN(c2ccc(CN)cc2Cl)C1
InChIInChI=1S/C13H19ClN2/c1-10-3-2-6-16(9-10)13-5-4-11(8-15)7-12(13)14/h4-5,7,10H,2-3,6,8-9,15H2,1H3
InChIKeyNKYVEBZXFQSYFG-UHFFFAOYSA-N
MW238.76 g/mol
LogP3.04
Rot. Bonds2

About [3-chloro-4-(3-methylpiperidin-1-yl)phenyl]methanamine

[3-chloro-4-(3-methylpiperidin-1-yl)phenyl]methanamine (PubChem CID 63087843) has the molecular formula C13H19ClN2 and a molecular weight of 238.76 g/mol. Its IUPAC name is [3-chloro-4-(3-methylpiperidin-1-yl)phenyl]methanamine.

Molecular Properties

Compound Name[3-chloro-4-(3-methylpiperidin-1-yl)phenyl]methanamine
PubChem CID63087843
Molecular FormulaC13H19ClN2
Molecular Weight238.76 g/mol
Exact Mass238.12
IUPAC Name[3-chloro-4-(3-methylpiperidin-1-yl)phenyl]methanamine
SMILESCC1CCCN(c2ccc(CN)cc2Cl)C1
InChIInChI=1S/C13H19ClN2/c1-10-3-2-6-16(9-10)13-5-4-11(8-15)7-12(13)14/h4-5,7,10H,2-3,6,8-9,15H2,1H3
InChIKeyNKYVEBZXFQSYFG-UHFFFAOYSA-N
XLogP3.04
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.76
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [3-chloro-4-(3-methylpiperidin-1-yl)phenyl]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 [3-chloro-4-(3-methylpiperidin-1-yl)phenyl]methanamine?
The IUPAC name of [3-chloro-4-(3-methylpiperidin-1-yl)phenyl]methanamine (CID 63087843) is [3-chloro-4-(3-methylpiperidin-1-yl)phenyl]methanamine.
What is the SMILES notation for [3-chloro-4-(3-methylpiperidin-1-yl)phenyl]methanamine?
The canonical SMILES for [3-chloro-4-(3-methylpiperidin-1-yl)phenyl]methanamine is CC1CCCN(c2ccc(CN)cc2Cl)C1.
What is the InChIKey of [3-chloro-4-(3-methylpiperidin-1-yl)phenyl]methanamine?
The InChIKey is NKYVEBZXFQSYFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2/c1-10-3-2-6-16(9-10)13-5-4-11(8-15)7-12(13)14/h4-5,7,10H,2-3,6,8-9,15H2,1H3.
What are the key properties of [3-chloro-4-(3-methylpiperidin-1-yl)phenyl]methanamine?
[3-chloro-4-(3-methylpiperidin-1-yl)phenyl]methanamine has a molecular weight of 238.76 g/mol, XLogP of 3.04, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-chloro-4-(3-methylpiperidin-1-yl)phenyl]methanamine is sourced from PubChem (CID 63087843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).