N-[(3-chloro-4-methylphenyl)methyl]-1-methylpiperidin-4-amine

C14H21ClN2 — CID 106816236

IUPACN-[(3-chloro-4-methylphenyl)methyl]-1-methylpiperidin-4-amine
SMILESCc1ccc(CNC2CCN(C)CC2)cc1Cl
InChIInChI=1S/C14H21ClN2/c1-11-3-4-12(9-14(11)15)10-16-13-5-7-17(2)8-6-13/h3-4,9,13,16H,5-8,10H2,1-2H3
InChIKeyDOATXHPTYJFWGM-UHFFFAOYSA-N
MW252.79 g/mol
LogP2.83
Rot. Bonds3

About N-[(3-chloro-4-methylphenyl)methyl]-1-methylpiperidin-4-amine

N-[(3-chloro-4-methylphenyl)methyl]-1-methylpiperidin-4-amine (PubChem CID 106816236) has the molecular formula C14H21ClN2 and a molecular weight of 252.79 g/mol. Its IUPAC name is N-[(3-chloro-4-methylphenyl)methyl]-1-methylpiperidin-4-amine.

Molecular Properties

Compound NameN-[(3-chloro-4-methylphenyl)methyl]-1-methylpiperidin-4-amine
PubChem CID106816236
Molecular FormulaC14H21ClN2
Molecular Weight252.79 g/mol
Exact Mass252.14
IUPAC NameN-[(3-chloro-4-methylphenyl)methyl]-1-methylpiperidin-4-amine
SMILESCc1ccc(CNC2CCN(C)CC2)cc1Cl
InChIInChI=1S/C14H21ClN2/c1-11-3-4-12(9-14(11)15)10-16-13-5-7-17(2)8-6-13/h3-4,9,13,16H,5-8,10H2,1-2H3
InChIKeyDOATXHPTYJFWGM-UHFFFAOYSA-N
XLogP2.83
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.79
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-chloro-4-methylphenyl)methyl]cyclohexanamine
CID 63195272
N-[(3-chloro-4-methylphenyl)methyl]-1-methylsulfonylpiperidin-4-amine
CID 106816263
[4-[(3-chloro-4-methylphenyl)methylamino]piperidin-1-yl]-cyclopropylmethanone
CID 106816549
N-[[4-(4-chlorophenyl)phenyl]methyl]-1-methylpiperidin-4-amine
CID 23614409
N-[(3-chloro-4-methylphenyl)methyl]-3,5-dimethylcyclohexan-1-amine
CID 106816870
N-[(3,4-difluorophenyl)methyl]-1-methylazepan-4-amine
CID 65070298
N-[2-(3-chloro-4-methylphenyl)ethyl]cyclopropanamine
CID 106818906
N-[[4-(aminomethyl)phenyl]methyl]-1-methylpiperidin-4-amine
CID 115213157
N-[(2,6-dichlorophenyl)methyl]-1-methylpiperidin-4-amine
CID 43215915
N-[(3-chlorophenyl)methyl]-1-methylazepan-4-amine
CID 65070501
N-benzyl-1-methylpiperidin-4-amine
CID 1114650
N-[(3-chloro-4,5-dimethoxyphenyl)methyl]-1-methylpiperidin-4-amine
CID 43223600

Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-4-methylphenyl)methyl]-1-methylpiperidin-4-amine?
The IUPAC name of N-[(3-chloro-4-methylphenyl)methyl]-1-methylpiperidin-4-amine (CID 106816236) is N-[(3-chloro-4-methylphenyl)methyl]-1-methylpiperidin-4-amine.
What is the SMILES notation for N-[(3-chloro-4-methylphenyl)methyl]-1-methylpiperidin-4-amine?
The canonical SMILES for N-[(3-chloro-4-methylphenyl)methyl]-1-methylpiperidin-4-amine is Cc1ccc(CNC2CCN(C)CC2)cc1Cl.
What is the InChIKey of N-[(3-chloro-4-methylphenyl)methyl]-1-methylpiperidin-4-amine?
The InChIKey is DOATXHPTYJFWGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2/c1-11-3-4-12(9-14(11)15)10-16-13-5-7-17(2)8-6-13/h3-4,9,13,16H,5-8,10H2,1-2H3.
What are the key properties of N-[(3-chloro-4-methylphenyl)methyl]-1-methylpiperidin-4-amine?
N-[(3-chloro-4-methylphenyl)methyl]-1-methylpiperidin-4-amine has a molecular weight of 252.79 g/mol, XLogP of 2.83, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chloro-4-methylphenyl)methyl]-1-methylpiperidin-4-amine is sourced from PubChem (CID 106816236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).