3-(4-chlorophenyl)-2-piperidin-1-ylpentan-3-amine

C16H25ClN2 — CID 43830737

IUPAC3-(4-chlorophenyl)-2-piperidin-1-ylpentan-3-amine
SMILESCCC(N)(c1ccc(Cl)cc1)C(C)N1CCCCC1
InChIInChI=1S/C16H25ClN2/c1-3-16(18,14-7-9-15(17)10-8-14)13(2)19-11-5-4-6-12-19/h7-10,13H,3-6,11-12,18H2,1-2H3
InChIKeyQQPSNZOQPCRKKT-UHFFFAOYSA-N
MW280.84 g/mol
LogP3.78
Rot. Bonds4

About 3-(4-chlorophenyl)-2-piperidin-1-ylpentan-3-amine

3-(4-chlorophenyl)-2-piperidin-1-ylpentan-3-amine (PubChem CID 43830737) has the molecular formula C16H25ClN2 and a molecular weight of 280.84 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-2-piperidin-1-ylpentan-3-amine.

Molecular Properties

Compound Name3-(4-chlorophenyl)-2-piperidin-1-ylpentan-3-amine
PubChem CID43830737
Molecular FormulaC16H25ClN2
Molecular Weight280.84 g/mol
Exact Mass280.17
IUPAC Name3-(4-chlorophenyl)-2-piperidin-1-ylpentan-3-amine
SMILESCCC(N)(c1ccc(Cl)cc1)C(C)N1CCCCC1
InChIInChI=1S/C16H25ClN2/c1-3-16(18,14-7-9-15(17)10-8-14)13(2)19-11-5-4-6-12-19/h7-10,13H,3-6,11-12,18H2,1-2H3
InChIKeyQQPSNZOQPCRKKT-UHFFFAOYSA-N
XLogP3.78
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.84
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(azepan-1-yl)-3-(2-fluorophenyl)pentan-3-amine
CID 43830525
2-(4-chlorophenyl)-3-piperidin-1-ylbutan-2-ol
CID 90871387
4-(4-chlorophenyl)-5-pyrrolidin-1-ylhept-1-en-4-amine
CID 43830783
3-(4-fluorophenyl)-5-methyl-2-pyrrolidin-1-ylhex-5-en-3-amine
CID 43830345
3-phenyl-4-pyrrolidin-1-ylheptan-3-amine
CID 43829646
(2R)-2-methyl-2-[4-(2-methylpropyl)phenyl]-3-piperidin-1-ylbutanamide;hydrochloride
CID 69172440
3-(4-tert-butylphenyl)-2-methylpentan-3-amine
CID 63408030
N-[(2R)-1-(4-chlorophenyl)-1-piperidin-1-ylpropan-2-yl]hydroxylamine
CID 134994709
N-[(4-chlorophenyl)methyl]-2-piperidin-1-ylpropan-1-amine
CID 54899450
2-(4-fluorophenyl)-3-methyl-1-piperidin-1-ylbutan-2-amine
CID 43830466
2-(2-fluorophenyl)-3-piperidin-1-ylbutan-2-amine
CID 43830514
1-[1-(4-chlorophenyl)-3-methylbutyl]pyrrolidine;hydrochloride
CID 3057474

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-2-piperidin-1-ylpentan-3-amine?
The IUPAC name of 3-(4-chlorophenyl)-2-piperidin-1-ylpentan-3-amine (CID 43830737) is 3-(4-chlorophenyl)-2-piperidin-1-ylpentan-3-amine.
What is the SMILES notation for 3-(4-chlorophenyl)-2-piperidin-1-ylpentan-3-amine?
The canonical SMILES for 3-(4-chlorophenyl)-2-piperidin-1-ylpentan-3-amine is CCC(N)(c1ccc(Cl)cc1)C(C)N1CCCCC1.
What is the InChIKey of 3-(4-chlorophenyl)-2-piperidin-1-ylpentan-3-amine?
The InChIKey is QQPSNZOQPCRKKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25ClN2/c1-3-16(18,14-7-9-15(17)10-8-14)13(2)19-11-5-4-6-12-19/h7-10,13H,3-6,11-12,18H2,1-2H3.
What are the key properties of 3-(4-chlorophenyl)-2-piperidin-1-ylpentan-3-amine?
3-(4-chlorophenyl)-2-piperidin-1-ylpentan-3-amine has a molecular weight of 280.84 g/mol, XLogP of 3.78, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-2-piperidin-1-ylpentan-3-amine is sourced from PubChem (CID 43830737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).