[2-(3-chlorophenyl)-1-methylpiperidin-3-yl]methanamine

C13H19ClN2 — CID 54594821

IUPAC[2-(3-chlorophenyl)-1-methylpiperidin-3-yl]methanamine
SMILESCN1CCCC(CN)C1c1cccc(Cl)c1
InChIInChI=1S/C13H19ClN2/c1-16-7-3-5-11(9-15)13(16)10-4-2-6-12(14)8-10/h2,4,6,8,11,13H,3,5,7,9,15H2,1H3
InChIKeyQEZHRHPXKIVCHH-UHFFFAOYSA-N
MW238.76 g/mol
LogP2.68
Rot. Bonds2

About [2-(3-chlorophenyl)-1-methylpiperidin-3-yl]methanamine

[2-(3-chlorophenyl)-1-methylpiperidin-3-yl]methanamine (PubChem CID 54594821) has the molecular formula C13H19ClN2 and a molecular weight of 238.76 g/mol. Its IUPAC name is [2-(3-chlorophenyl)-1-methylpiperidin-3-yl]methanamine.

Molecular Properties

Compound Name[2-(3-chlorophenyl)-1-methylpiperidin-3-yl]methanamine
PubChem CID54594821
Molecular FormulaC13H19ClN2
Molecular Weight238.76 g/mol
Exact Mass238.12
IUPAC Name[2-(3-chlorophenyl)-1-methylpiperidin-3-yl]methanamine
SMILESCN1CCCC(CN)C1c1cccc(Cl)c1
InChIInChI=1S/C13H19ClN2/c1-16-7-3-5-11(9-15)13(16)10-4-2-6-12(14)8-10/h2,4,6,8,11,13H,3,5,7,9,15H2,1H3
InChIKeyQEZHRHPXKIVCHH-UHFFFAOYSA-N
XLogP2.68
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 ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [2-(3-chlorophenyl)-1-methylpiperidin-3-yl]methanamine?
The IUPAC name of [2-(3-chlorophenyl)-1-methylpiperidin-3-yl]methanamine (CID 54594821) is [2-(3-chlorophenyl)-1-methylpiperidin-3-yl]methanamine.
What is the SMILES notation for [2-(3-chlorophenyl)-1-methylpiperidin-3-yl]methanamine?
The canonical SMILES for [2-(3-chlorophenyl)-1-methylpiperidin-3-yl]methanamine is CN1CCCC(CN)C1c1cccc(Cl)c1.
What is the InChIKey of [2-(3-chlorophenyl)-1-methylpiperidin-3-yl]methanamine?
The InChIKey is QEZHRHPXKIVCHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2/c1-16-7-3-5-11(9-15)13(16)10-4-2-6-12(14)8-10/h2,4,6,8,11,13H,3,5,7,9,15H2,1H3.
What are the key properties of [2-(3-chlorophenyl)-1-methylpiperidin-3-yl]methanamine?
[2-(3-chlorophenyl)-1-methylpiperidin-3-yl]methanamine has a molecular weight of 238.76 g/mol, XLogP of 2.68, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-chlorophenyl)-1-methylpiperidin-3-yl]methanamine is sourced from PubChem (CID 54594821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).