1-(3-chlorophenyl)-N,2,2-trimethylpiperidin-4-amine

C14H21ClN2 — CID 117020209

IUPAC1-(3-chlorophenyl)-N,2,2-trimethylpiperidin-4-amine
SMILESCNC1CCN(c2cccc(Cl)c2)C(C)(C)C1
InChIInChI=1S/C14H21ClN2/c1-14(2)10-12(16-3)7-8-17(14)13-6-4-5-11(15)9-13/h4-6,9,12,16H,7-8,10H2,1-3H3
InChIKeyJZFSXCOAICTZQZ-UHFFFAOYSA-N
MW252.79 g/mol
LogP3.31
Rot. Bonds2

About 1-(3-chlorophenyl)-N,2,2-trimethylpiperidin-4-amine

1-(3-chlorophenyl)-N,2,2-trimethylpiperidin-4-amine (PubChem CID 117020209) has the molecular formula C14H21ClN2 and a molecular weight of 252.79 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-N,2,2-trimethylpiperidin-4-amine.

Molecular Properties

Compound Name1-(3-chlorophenyl)-N,2,2-trimethylpiperidin-4-amine
PubChem CID117020209
Molecular FormulaC14H21ClN2
Molecular Weight252.79 g/mol
Exact Mass252.14
IUPAC Name1-(3-chlorophenyl)-N,2,2-trimethylpiperidin-4-amine
SMILESCNC1CCN(c2cccc(Cl)c2)C(C)(C)C1
InChIInChI=1S/C14H21ClN2/c1-14(2)10-12(16-3)7-8-17(14)13-6-4-5-11(15)9-13/h4-6,9,12,16H,7-8,10H2,1-3H3
InChIKeyJZFSXCOAICTZQZ-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

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Related Compounds

1-(3-chlorophenyl)-N,5,5-trimethylpyrrolidin-3-amine
CID 117018228
1-(3-chlorophenyl)-2,2-dimethylpyrrolidin-3-ol
CID 117016836
1-(3-chlorophenyl)-5,5-dimethylpyrrolidin-3-amine
CID 117018128
1-(3-chlorophenyl)-5,5-dimethylpyrrolidine-3-carboxylic acid
CID 117018414
1-(3-bromophenyl)-N,5,5-trimethylpyrrolidin-3-amine
CID 117018258
(3R)-1-(3-chlorophenyl)-3-(methylamino)pyrrolidin-2-one
CID 94236892
N,2,2-trimethyl-1-(2-propan-2-ylphenyl)piperidin-4-amine
CID 117020203
1-[2-(3-chlorophenoxy)ethyl]-N-methylpiperidin-4-amine
CID 119923695
1-[1-(3-chlorophenyl)ethyl]-N-methylpiperidin-4-amine
CID 54965150
1-(3-methoxyphenyl)-2,2-dimethylpiperidin-4-amine
CID 117020135
1-[1-(3-chlorophenyl)ethyl]-N-methylpiperidin-4-amine;hydrochloride
CID 119923709
8-[1-(3-chlorophenyl)ethyl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine
CID 62740213

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-N,2,2-trimethylpiperidin-4-amine?
The IUPAC name of 1-(3-chlorophenyl)-N,2,2-trimethylpiperidin-4-amine (CID 117020209) is 1-(3-chlorophenyl)-N,2,2-trimethylpiperidin-4-amine.
What is the SMILES notation for 1-(3-chlorophenyl)-N,2,2-trimethylpiperidin-4-amine?
The canonical SMILES for 1-(3-chlorophenyl)-N,2,2-trimethylpiperidin-4-amine is CNC1CCN(c2cccc(Cl)c2)C(C)(C)C1.
What is the InChIKey of 1-(3-chlorophenyl)-N,2,2-trimethylpiperidin-4-amine?
The InChIKey is JZFSXCOAICTZQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2/c1-14(2)10-12(16-3)7-8-17(14)13-6-4-5-11(15)9-13/h4-6,9,12,16H,7-8,10H2,1-3H3.
What are the key properties of 1-(3-chlorophenyl)-N,2,2-trimethylpiperidin-4-amine?
1-(3-chlorophenyl)-N,2,2-trimethylpiperidin-4-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-(3-chlorophenyl)-N,2,2-trimethylpiperidin-4-amine is sourced from PubChem (CID 117020209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).