2-(4-chlorophenyl)-2-piperidin-2-ylethanamine

C13H19ClN2 — CID 83986370

IUPAC2-(4-chlorophenyl)-2-piperidin-2-ylethanamine
SMILESNCC(c1ccc(Cl)cc1)C1CCCCN1
InChIInChI=1S/C13H19ClN2/c14-11-6-4-10(5-7-11)12(9-15)13-3-1-2-8-16-13/h4-7,12-13,16H,1-3,8-9,15H2
InChIKeyKZMASFQVRIHHIW-UHFFFAOYSA-N
MW238.76 g/mol
LogP2.52
Rot. Bonds3

About 2-(4-chlorophenyl)-2-piperidin-2-ylethanamine

2-(4-chlorophenyl)-2-piperidin-2-ylethanamine (PubChem CID 83986370) has the molecular formula C13H19ClN2 and a molecular weight of 238.76 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-2-piperidin-2-ylethanamine.

Molecular Properties

Compound Name2-(4-chlorophenyl)-2-piperidin-2-ylethanamine
PubChem CID83986370
Molecular FormulaC13H19ClN2
Molecular Weight238.76 g/mol
Exact Mass238.12
IUPAC Name2-(4-chlorophenyl)-2-piperidin-2-ylethanamine
SMILESNCC(c1ccc(Cl)cc1)C1CCCCN1
InChIInChI=1S/C13H19ClN2/c14-11-6-4-10(5-7-11)12(9-15)13-3-1-2-8-16-13/h4-7,12-13,16H,1-3,8-9,15H2
InChIKeyKZMASFQVRIHHIW-UHFFFAOYSA-N
XLogP2.52
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.76
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-[(1S)-1-(4-chlorophenyl)-3-methylbutyl]piperidine
CID 134817223
(2S)-2-[(1S)-1-(4-chlorophenyl)-3-methylbutyl]piperidine;hydrochloride
CID 134817222
2-piperidin-2-yl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanamine
CID 83987668
2-(2-fluorophenyl)-2-piperidin-2-ylethanamine
CID 83987267
(1S)-2-[(1R)-2-amino-1-(4-chlorophenyl)ethyl]cyclohexan-1-ol
CID 70378314
cis-(1S,2S)-2-[(1R)-2-amino-1-(4-chlorophenyl)ethyl]cycloheptan-1-ol
CID 57084469
2-(3,4-dichlorophenyl)-2-piperidin-2-ylethanol
CID 73309636
2-(2,4-dimethylphenyl)-2-piperidin-2-ylethanamine
CID 83986431
(2R)-2-[bis(4-propan-2-ylphenyl)methyl]piperidine
CID 59628791
2-[1-(3-chlorophenyl)-3-methylbutyl]piperidine
CID 11499958
azepan-2-yl-(3-chloro-4-fluorophenyl)methanol
CID 81155319
2-(azocan-2-yl)-1-(4-chlorophenyl)ethanol
CID 114239649

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-2-piperidin-2-ylethanamine?
The IUPAC name of 2-(4-chlorophenyl)-2-piperidin-2-ylethanamine (CID 83986370) is 2-(4-chlorophenyl)-2-piperidin-2-ylethanamine.
What is the SMILES notation for 2-(4-chlorophenyl)-2-piperidin-2-ylethanamine?
The canonical SMILES for 2-(4-chlorophenyl)-2-piperidin-2-ylethanamine is NCC(c1ccc(Cl)cc1)C1CCCCN1.
What is the InChIKey of 2-(4-chlorophenyl)-2-piperidin-2-ylethanamine?
The InChIKey is KZMASFQVRIHHIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2/c14-11-6-4-10(5-7-11)12(9-15)13-3-1-2-8-16-13/h4-7,12-13,16H,1-3,8-9,15H2.
What are the key properties of 2-(4-chlorophenyl)-2-piperidin-2-ylethanamine?
2-(4-chlorophenyl)-2-piperidin-2-ylethanamine has a molecular weight of 238.76 g/mol, XLogP of 2.52, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-2-piperidin-2-ylethanamine is sourced from PubChem (CID 83986370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).