[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methanamine

C13H19ClN2 — CID 2236109

IUPAC[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methanamine
SMILESNCC1CCN(Cc2ccccc2Cl)CC1
InChIInChI=1S/C13H19ClN2/c14-13-4-2-1-3-12(13)10-16-7-5-11(9-15)6-8-16/h1-4,11H,5-10,15H2
InChIKeyRUSJZUMIGVPPQH-UHFFFAOYSA-N
MW238.76 g/mol
LogP2.51
Rot. Bonds3

About [1-[(2-chlorophenyl)methyl]piperidin-4-yl]methanamine

[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methanamine (PubChem CID 2236109) has the molecular formula C13H19ClN2 and a molecular weight of 238.76 g/mol. Its IUPAC name is [1-[(2-chlorophenyl)methyl]piperidin-4-yl]methanamine.

Molecular Properties

Compound Name[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methanamine
PubChem CID2236109
Molecular FormulaC13H19ClN2
Molecular Weight238.76 g/mol
Exact Mass238.12
IUPAC Name[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methanamine
SMILESNCC1CCN(Cc2ccccc2Cl)CC1
InChIInChI=1S/C13H19ClN2/c14-13-4-2-1-3-12(13)10-16-7-5-11(9-15)6-8-16/h1-4,11H,5-10,15H2
InChIKeyRUSJZUMIGVPPQH-UHFFFAOYSA-N
XLogP2.51
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.76
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [1-[(2-chlorophenyl)methyl]piperidin-4-yl]methanamine?
The IUPAC name of [1-[(2-chlorophenyl)methyl]piperidin-4-yl]methanamine (CID 2236109) is [1-[(2-chlorophenyl)methyl]piperidin-4-yl]methanamine.
What is the SMILES notation for [1-[(2-chlorophenyl)methyl]piperidin-4-yl]methanamine?
The canonical SMILES for [1-[(2-chlorophenyl)methyl]piperidin-4-yl]methanamine is NCC1CCN(Cc2ccccc2Cl)CC1.
What is the InChIKey of [1-[(2-chlorophenyl)methyl]piperidin-4-yl]methanamine?
The InChIKey is RUSJZUMIGVPPQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2/c14-13-4-2-1-3-12(13)10-16-7-5-11(9-15)6-8-16/h1-4,11H,5-10,15H2.
What are the key properties of [1-[(2-chlorophenyl)methyl]piperidin-4-yl]methanamine?
[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methanamine has a molecular weight of 238.76 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2-chlorophenyl)methyl]piperidin-4-yl]methanamine is sourced from PubChem (CID 2236109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).