1-(4-chlorophenyl)-N-(2,2-dimethylpropyl)-5-methylpiperidin-3-amine

C17H27ClN2 — CID 83995167

IUPAC1-(4-chlorophenyl)-N-(2,2-dimethylpropyl)-5-methylpiperidin-3-amine
SMILESCC1CC(NCC(C)(C)C)CN(c2ccc(Cl)cc2)C1
InChIInChI=1S/C17H27ClN2/c1-13-9-15(19-12-17(2,3)4)11-20(10-13)16-7-5-14(18)6-8-16/h5-8,13,15,19H,9-12H2,1-4H3
InChIKeyKDDGTNOAKXFURR-UHFFFAOYSA-N
MW294.87 g/mol
LogP4.19
Rot. Bonds3

About 1-(4-chlorophenyl)-N-(2,2-dimethylpropyl)-5-methylpiperidin-3-amine

1-(4-chlorophenyl)-N-(2,2-dimethylpropyl)-5-methylpiperidin-3-amine (PubChem CID 83995167) has the molecular formula C17H27ClN2 and a molecular weight of 294.87 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-(2,2-dimethylpropyl)-5-methylpiperidin-3-amine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-(2,2-dimethylpropyl)-5-methylpiperidin-3-amine
PubChem CID83995167
Molecular FormulaC17H27ClN2
Molecular Weight294.87 g/mol
Exact Mass294.19
IUPAC Name1-(4-chlorophenyl)-N-(2,2-dimethylpropyl)-5-methylpiperidin-3-amine
SMILESCC1CC(NCC(C)(C)C)CN(c2ccc(Cl)cc2)C1
InChIInChI=1S/C17H27ClN2/c1-13-9-15(19-12-17(2,3)4)11-20(10-13)16-7-5-14(18)6-8-16/h5-8,13,15,19H,9-12H2,1-4H3
InChIKeyKDDGTNOAKXFURR-UHFFFAOYSA-N
XLogP4.19
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.87
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(4-chlorophenyl)-N-(2,2-dimethylpropyl)-5-methylpiperidin-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

N-[(4-chlorophenyl)methyl]-1-[4-(3,5-dimethylpiperidin-1-yl)phenyl]methanamine
CID 110823411
1-(4-chlorophenyl)-N-methylazetidin-3-amine
CID 117002912
N-(2,2-dimethylpropyl)-5-ethyl-1-phenylpiperidin-3-amine
CID 83995125
2-[5-(2,2-dimethylpropylamino)-1-phenylpiperidin-3-yl]ethanol
CID 83995129
N-(2,2-difluoroethyl)-1-(4-fluorophenyl)-5-methylpiperidin-3-amine
CID 83993084
N-(cyclobutylmethyl)-5-methyl-1-(4-methylphenyl)piperidin-3-amine
CID 83997250
(3S,4R)-1-(4-chlorophenyl)pyrrolidine-3,4-diol
CID 95562583
N-(cyclobutylmethyl)-1-(3,4-difluorophenyl)-5-methylpiperidin-3-amine
CID 83997239
1-(3,4-difluorophenyl)-N,5-dimethylpiperidin-3-amine
CID 83989825
N-(cyclopentylmethyl)-5-methyl-1-phenylpiperidin-3-amine
CID 83997890
1-(3,4-dimethylphenyl)-5-methyl-N-propylpiperidin-3-amine
CID 83991093
1-(4-chlorophenyl)-3,5-dimethylpiperazine
CID 22633049

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-(2,2-dimethylpropyl)-5-methylpiperidin-3-amine?
The IUPAC name of 1-(4-chlorophenyl)-N-(2,2-dimethylpropyl)-5-methylpiperidin-3-amine (CID 83995167) is 1-(4-chlorophenyl)-N-(2,2-dimethylpropyl)-5-methylpiperidin-3-amine.
What is the SMILES notation for 1-(4-chlorophenyl)-N-(2,2-dimethylpropyl)-5-methylpiperidin-3-amine?
The canonical SMILES for 1-(4-chlorophenyl)-N-(2,2-dimethylpropyl)-5-methylpiperidin-3-amine is CC1CC(NCC(C)(C)C)CN(c2ccc(Cl)cc2)C1.
What is the InChIKey of 1-(4-chlorophenyl)-N-(2,2-dimethylpropyl)-5-methylpiperidin-3-amine?
The InChIKey is KDDGTNOAKXFURR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27ClN2/c1-13-9-15(19-12-17(2,3)4)11-20(10-13)16-7-5-14(18)6-8-16/h5-8,13,15,19H,9-12H2,1-4H3.
What are the key properties of 1-(4-chlorophenyl)-N-(2,2-dimethylpropyl)-5-methylpiperidin-3-amine?
1-(4-chlorophenyl)-N-(2,2-dimethylpropyl)-5-methylpiperidin-3-amine has a molecular weight of 294.87 g/mol, XLogP of 4.19, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-(2,2-dimethylpropyl)-5-methylpiperidin-3-amine is sourced from PubChem (CID 83995167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).