1-(2-chlorophenyl)-N,2,2-trimethylpiperidin-3-amine

C14H21ClN2 — CID 117019307

IUPAC1-(2-chlorophenyl)-N,2,2-trimethylpiperidin-3-amine
SMILESCNC1CCCN(c2ccccc2Cl)C1(C)C
InChIInChI=1S/C14H21ClN2/c1-14(2)13(16-3)9-6-10-17(14)12-8-5-4-7-11(12)15/h4-5,7-8,13,16H,6,9-10H2,1-3H3
InChIKeyJDIBSMNCVATSCD-UHFFFAOYSA-N
MW252.79 g/mol
LogP3.31
Rot. Bonds2

About 1-(2-chlorophenyl)-N,2,2-trimethylpiperidin-3-amine

1-(2-chlorophenyl)-N,2,2-trimethylpiperidin-3-amine (PubChem CID 117019307) has the molecular formula C14H21ClN2 and a molecular weight of 252.79 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-N,2,2-trimethylpiperidin-3-amine.

Molecular Properties

Compound Name1-(2-chlorophenyl)-N,2,2-trimethylpiperidin-3-amine
PubChem CID117019307
Molecular FormulaC14H21ClN2
Molecular Weight252.79 g/mol
Exact Mass252.14
IUPAC Name1-(2-chlorophenyl)-N,2,2-trimethylpiperidin-3-amine
SMILESCNC1CCCN(c2ccccc2Cl)C1(C)C
InChIInChI=1S/C14H21ClN2/c1-14(2)13(16-3)9-6-10-17(14)12-8-5-4-7-11(12)15/h4-5,7-8,13,16H,6,9-10H2,1-3H3
InChIKeyJDIBSMNCVATSCD-UHFFFAOYSA-N
XLogP3.31
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.79
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(2-chlorophenyl)-N,2,2-trimethylpiperidin-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-methoxy-5-methylphenyl)-N,2,2-trimethylpiperidin-3-amine
CID 117019321
2-[1-(2-chlorophenyl)-2,2-dimethylpyrrolidin-3-yl]ethanamine
CID 117017576
1-(2-chlorophenyl)-2,2-dimethylpiperidin-4-amine
CID 117020121
[1-(3-chloro-2-methylphenyl)-2,2-dimethylpiperidin-3-yl]methanol
CID 117019807
8-(2-chlorophenyl)-N-methyl-8-azabicyclo[3.2.1]octan-3-amine
CID 62740859
1-(2,5-dimethylphenyl)-N,2,2-trimethylpyrrolidin-3-amine
CID 117017096
1-(2,3-dichlorophenyl)-2,2-dimethylpyrrolidin-3-amine
CID 117017057
1-(2-chloro-4,6-dimethylphenyl)-N,2,2-trimethylpyrrolidin-3-amine
CID 117017121
1-(2-chlorophenyl)-6,6-dimethylpiperidin-3-amine
CID 117021020
1-(2,3-dichlorophenyl)-2,2-dimethylpyrrolidin-3-ol
CID 117016879
1-(2-fluorophenyl)-2,2-dimethylpiperidin-3-amine
CID 117019217
1-(2-chlorophenyl)-5,5-dimethylpyrrolidin-3-amine
CID 117018127

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-N,2,2-trimethylpiperidin-3-amine?
The IUPAC name of 1-(2-chlorophenyl)-N,2,2-trimethylpiperidin-3-amine (CID 117019307) is 1-(2-chlorophenyl)-N,2,2-trimethylpiperidin-3-amine.
What is the SMILES notation for 1-(2-chlorophenyl)-N,2,2-trimethylpiperidin-3-amine?
The canonical SMILES for 1-(2-chlorophenyl)-N,2,2-trimethylpiperidin-3-amine is CNC1CCCN(c2ccccc2Cl)C1(C)C.
What is the InChIKey of 1-(2-chlorophenyl)-N,2,2-trimethylpiperidin-3-amine?
The InChIKey is JDIBSMNCVATSCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2/c1-14(2)13(16-3)9-6-10-17(14)12-8-5-4-7-11(12)15/h4-5,7-8,13,16H,6,9-10H2,1-3H3.
What are the key properties of 1-(2-chlorophenyl)-N,2,2-trimethylpiperidin-3-amine?
1-(2-chlorophenyl)-N,2,2-trimethylpiperidin-3-amine has a molecular weight of 252.79 g/mol, XLogP of 3.31, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-N,2,2-trimethylpiperidin-3-amine is sourced from PubChem (CID 117019307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).