2-(4-chloro-3-methylphenyl)-1-methylpiperidin-4-amine

C13H19ClN2 — CID 165457750

IUPAC2-(4-chloro-3-methylphenyl)-1-methylpiperidin-4-amine
SMILESCc1cc(C2CC(N)CCN2C)ccc1Cl
InChIInChI=1S/C13H19ClN2/c1-9-7-10(3-4-12(9)14)13-8-11(15)5-6-16(13)2/h3-4,7,11,13H,5-6,8,15H2,1-2H3
InChIKeyLJYLKSVFFRRPIM-UHFFFAOYSA-N
MW238.76 g/mol
LogP2.74
Rot. Bonds1

About 2-(4-chloro-3-methylphenyl)-1-methylpiperidin-4-amine

2-(4-chloro-3-methylphenyl)-1-methylpiperidin-4-amine (PubChem CID 165457750) has the molecular formula C13H19ClN2 and a molecular weight of 238.76 g/mol. Its IUPAC name is 2-(4-chloro-3-methylphenyl)-1-methylpiperidin-4-amine.

Molecular Properties

Compound Name2-(4-chloro-3-methylphenyl)-1-methylpiperidin-4-amine
PubChem CID165457750
Molecular FormulaC13H19ClN2
Molecular Weight238.76 g/mol
Exact Mass238.12
IUPAC Name2-(4-chloro-3-methylphenyl)-1-methylpiperidin-4-amine
SMILESCc1cc(C2CC(N)CCN2C)ccc1Cl
InChIInChI=1S/C13H19ClN2/c1-9-7-10(3-4-12(9)14)13-8-11(15)5-6-16(13)2/h3-4,7,11,13H,5-6,8,15H2,1-2H3
InChIKeyLJYLKSVFFRRPIM-UHFFFAOYSA-N
XLogP2.74
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.76
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Chlorcyclizine
CID 2710
Meclizine
CID 4034
Norchlorcyclizine
CID 9340
Clobenzorex
CID 735998
N-[(2-chlorophenyl)methyl]-1-phenylpropan-2-amine
CID 71675
Piperazine, 1-[(4-chlorophenyl)methyl]-, hydrochloride (1:1)
CID 20437422
1-[Bis(4-chlorophenyl)methyl]piperazine
CID 285510
Norchlorcyclizine, (-)-
CID 668697
4-Chloro-N-pentylbenzenemethanamine
CID 2466110
1-(2-(2-Chlorophenyl)-1-phenylethyl)piperazine
CID 44414719
Chlorcyclizine, (R)-
CID 688438
N-[3-(4-chlorophenyl)-4-methylpentyl]-1-methylpiperidin-4-amine
CID 17583254

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3-methylphenyl)-1-methylpiperidin-4-amine?
The IUPAC name of 2-(4-chloro-3-methylphenyl)-1-methylpiperidin-4-amine (CID 165457750) is 2-(4-chloro-3-methylphenyl)-1-methylpiperidin-4-amine.
What is the SMILES notation for 2-(4-chloro-3-methylphenyl)-1-methylpiperidin-4-amine?
The canonical SMILES for 2-(4-chloro-3-methylphenyl)-1-methylpiperidin-4-amine is Cc1cc(C2CC(N)CCN2C)ccc1Cl.
What is the InChIKey of 2-(4-chloro-3-methylphenyl)-1-methylpiperidin-4-amine?
The InChIKey is LJYLKSVFFRRPIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2/c1-9-7-10(3-4-12(9)14)13-8-11(15)5-6-16(13)2/h3-4,7,11,13H,5-6,8,15H2,1-2H3.
What are the key properties of 2-(4-chloro-3-methylphenyl)-1-methylpiperidin-4-amine?
2-(4-chloro-3-methylphenyl)-1-methylpiperidin-4-amine has a molecular weight of 238.76 g/mol, XLogP of 2.74, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3-methylphenyl)-1-methylpiperidin-4-amine is sourced from PubChem (CID 165457750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).