1-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]butan-1-amine

C16H25ClN2 — CID 83982545

IUPAC1-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]butan-1-amine
SMILESCCCC(N)C1CCCN(Cc2ccc(Cl)cc2)C1
InChIInChI=1S/C16H25ClN2/c1-2-4-16(18)14-5-3-10-19(12-14)11-13-6-8-15(17)9-7-13/h6-9,14,16H,2-5,10-12,18H2,1H3
InChIKeyGMICOKPMWKWFRZ-UHFFFAOYSA-N
MW280.84 g/mol
LogP3.68
Rot. Bonds5

About 1-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]butan-1-amine

1-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]butan-1-amine (PubChem CID 83982545) has the molecular formula C16H25ClN2 and a molecular weight of 280.84 g/mol. Its IUPAC name is 1-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]butan-1-amine.

Molecular Properties

Compound Name1-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]butan-1-amine
PubChem CID83982545
Molecular FormulaC16H25ClN2
Molecular Weight280.84 g/mol
Exact Mass280.17
IUPAC Name1-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]butan-1-amine
SMILESCCCC(N)C1CCCN(Cc2ccc(Cl)cc2)C1
InChIInChI=1S/C16H25ClN2/c1-2-4-16(18)14-5-3-10-19(12-14)11-13-6-8-15(17)9-7-13/h6-9,14,16H,2-5,10-12,18H2,1H3
InChIKeyGMICOKPMWKWFRZ-UHFFFAOYSA-N
XLogP3.68
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.84
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-[(4-methylphenyl)methyl]piperidin-3-yl]butan-1-amine
CID 83982699
1-[1-[(4-chlorophenyl)methyl]pyrrolidin-3-yl]ethanamine
CID 83980773
methyl 2-amino-2-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]acetate
CID 83982541
(3R)-3-amino-3-[(3S)-1-benzylpiperidin-3-yl]propan-1-ol
CID 97168737
1-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]ethanamine
CID 63596526
1-[1-[(4-iodophenyl)methyl]piperidin-3-yl]ethanamine;hydrochloride
CID 119925517
(3R)-1-[(4-chlorophenyl)methyl]-N-[(2R)-pentan-2-yl]piperidine-3-carboxamide
CID 94008875
[1-[(4-chlorophenyl)methyl]piperidin-3-yl]methanamine
CID 18426222
N-ethyl-1-[1-[(4-ethylphenyl)methyl]piperidin-3-yl]ethanamine
CID 63853942
(1S)-1-(1-benzylpyrrolidin-3-yl)propan-1-amine
CID 10443395
2-amino-2-[1-[(4-methylphenyl)methyl]pyrrolidin-3-yl]ethanol
CID 83980822
1-[(4-chlorophenyl)methyl]-N-(3-methylbutyl)piperidin-3-amine
CID 83995651

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]butan-1-amine?
The IUPAC name of 1-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]butan-1-amine (CID 83982545) is 1-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]butan-1-amine.
What is the SMILES notation for 1-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]butan-1-amine?
The canonical SMILES for 1-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]butan-1-amine is CCCC(N)C1CCCN(Cc2ccc(Cl)cc2)C1.
What is the InChIKey of 1-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]butan-1-amine?
The InChIKey is GMICOKPMWKWFRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25ClN2/c1-2-4-16(18)14-5-3-10-19(12-14)11-13-6-8-15(17)9-7-13/h6-9,14,16H,2-5,10-12,18H2,1H3.
What are the key properties of 1-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]butan-1-amine?
1-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]butan-1-amine has a molecular weight of 280.84 g/mol, XLogP of 3.68, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]butan-1-amine is sourced from PubChem (CID 83982545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).