(4S)-4-(4-chlorophenyl)-3,3-dimethylpiperidin-4-amine

C13H19ClN2 — CID 124566891

IUPAC(4S)-4-(4-chlorophenyl)-3,3-dimethylpiperidin-4-amine
SMILESCC1(C)CNCC[C@]1(N)c1ccc(Cl)cc1
InChIInChI=1S/C13H19ClN2/c1-12(2)9-16-8-7-13(12,15)10-3-5-11(14)6-4-10/h3-6,16H,7-9,15H2,1-2H3/t13-/m0/s1
InChIKeyGERPGAMMZYVTMO-ZDUSSCGKSA-N
MW238.76 g/mol
LogP2.51
Rot. Bonds1

About (4S)-4-(4-chlorophenyl)-3,3-dimethylpiperidin-4-amine

(4S)-4-(4-chlorophenyl)-3,3-dimethylpiperidin-4-amine (PubChem CID 124566891) has the molecular formula C13H19ClN2 and a molecular weight of 238.76 g/mol. Its IUPAC name is (4S)-4-(4-chlorophenyl)-3,3-dimethylpiperidin-4-amine.

Molecular Properties

Compound Name(4S)-4-(4-chlorophenyl)-3,3-dimethylpiperidin-4-amine
PubChem CID124566891
Molecular FormulaC13H19ClN2
Molecular Weight238.76 g/mol
Exact Mass238.12
IUPAC Name(4S)-4-(4-chlorophenyl)-3,3-dimethylpiperidin-4-amine
SMILESCC1(C)CNCC[C@]1(N)c1ccc(Cl)cc1
InChIInChI=1S/C13H19ClN2/c1-12(2)9-16-8-7-13(12,15)10-3-5-11(14)6-4-10/h3-6,16H,7-9,15H2,1-2H3/t13-/m0/s1
InChIKeyGERPGAMMZYVTMO-ZDUSSCGKSA-N
XLogP2.51
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.76
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-(4-chlorophenyl)-4-ethyl-3,3-dimethylpiperidine
CID 129166728
(3R,4S)-4-(4-chlorophenyl)-3-methylpiperidine-3,4-diol
CID 59444236
(3S)-3-(4-chlorophenyl)pyrrolidin-3-ol
CID 92967135
3-(4-chlorophenyl)pyrrolidine-3-carboxamide
CID 70821859
[4-(4-chlorophenyl)piperidin-4-yl]methanamine;ethane
CID 143339018
4-(4-bromophenyl)-4-(4-chlorophenyl)-1-methylpiperidine;4-(4-bromophenyl)-4-(4-chlorophenyl)piperidine;hydrochloride
CID 157460819
6-(4-chlorophenyl)-6-methyl-1,4-oxazepane
CID 82287712
1-(4-chlorophenyl)cyclopentan-1-amine;hydrochloride
CID 47002947
4-(4-chlorophenyl)-4-fluoro-1-[(3-methylpyrrolidin-3-yl)methyl]piperidine
CID 120905694
1-(4-chlorophenyl)-3,3-dimethylcyclobutan-1-amine
CID 65000826
(3R)-3-(4-bromophenyl)pyrrolidin-3-amine
CID 125492002
4-(3-methylpyrrolidin-3-yl)aniline
CID 117050230

Frequently Asked Questions

What is the IUPAC name of (4S)-4-(4-chlorophenyl)-3,3-dimethylpiperidin-4-amine?
The IUPAC name of (4S)-4-(4-chlorophenyl)-3,3-dimethylpiperidin-4-amine (CID 124566891) is (4S)-4-(4-chlorophenyl)-3,3-dimethylpiperidin-4-amine.
What is the SMILES notation for (4S)-4-(4-chlorophenyl)-3,3-dimethylpiperidin-4-amine?
The canonical SMILES for (4S)-4-(4-chlorophenyl)-3,3-dimethylpiperidin-4-amine is CC1(C)CNCC[C@]1(N)c1ccc(Cl)cc1.
What is the InChIKey of (4S)-4-(4-chlorophenyl)-3,3-dimethylpiperidin-4-amine?
The InChIKey is GERPGAMMZYVTMO-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H19ClN2/c1-12(2)9-16-8-7-13(12,15)10-3-5-11(14)6-4-10/h3-6,16H,7-9,15H2,1-2H3/t13-/m0/s1.
What are the key properties of (4S)-4-(4-chlorophenyl)-3,3-dimethylpiperidin-4-amine?
(4S)-4-(4-chlorophenyl)-3,3-dimethylpiperidin-4-amine has a molecular weight of 238.76 g/mol, XLogP of 2.51, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-(4-chlorophenyl)-3,3-dimethylpiperidin-4-amine is sourced from PubChem (CID 124566891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).