3-(3-piperidin-4-ylphenyl)butan-1-amine

C15H24N2 — CID 117336960

IUPAC3-(3-piperidin-4-ylphenyl)butan-1-amine
SMILESCC(CCN)c1cccc(C2CCNCC2)c1
InChIInChI=1S/C15H24N2/c1-12(5-8-16)14-3-2-4-15(11-14)13-6-9-17-10-7-13/h2-4,11-13,17H,5-10,16H2,1H3
InChIKeyJIAONOYQLUQWBS-UHFFFAOYSA-N
MW232.37 g/mol
LogP2.61
Rot. Bonds4

About 3-(3-piperidin-4-ylphenyl)butan-1-amine

3-(3-piperidin-4-ylphenyl)butan-1-amine (PubChem CID 117336960) has the molecular formula C15H24N2 and a molecular weight of 232.37 g/mol. Its IUPAC name is 3-(3-piperidin-4-ylphenyl)butan-1-amine.

Molecular Properties

Compound Name3-(3-piperidin-4-ylphenyl)butan-1-amine
PubChem CID117336960
Molecular FormulaC15H24N2
Molecular Weight232.37 g/mol
Exact Mass232.19
IUPAC Name3-(3-piperidin-4-ylphenyl)butan-1-amine
SMILESCC(CCN)c1cccc(C2CCNCC2)c1
InChIInChI=1S/C15H24N2/c1-12(5-8-16)14-3-2-4-15(11-14)13-6-9-17-10-7-13/h2-4,11-13,17H,5-10,16H2,1H3
InChIKeyJIAONOYQLUQWBS-UHFFFAOYSA-N
XLogP2.61
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-piperidin-4-ylphenyl)butanal
CID 117334938
4-(3-piperidin-4-ylphenyl)piperidine
CID 91123464
N,3-dimethyl-2-(3-piperidin-4-ylphenyl)butan-1-amine
CID 116988972
3-(3-propan-2-ylphenyl)pyrrolidine
CID 58484109
3-(2-piperidin-4-ylphenyl)butan-1-amine
CID 117336959
(2S)-2-(3-cyclopropylphenyl)propan-1-ol
CID 129077577
3-amino-1-(3-cyclobutylphenyl)propan-1-ol
CID 114601621
2-amino-2-(3-pyrrolidin-3-ylphenyl)ethanol
CID 116988654
3-(3-cyclobutyloxyphenyl)butan-1-amine
CID 117313284
4-(3-bromophenyl)piperidine;hydrochloride
CID 46735221
4-[3-(4,4-dimethylcyclohexyl)phenyl]piperidine
CID 117431735
2-[3-(1-methylazepan-4-yl)phenyl]propan-1-amine
CID 117368932

Frequently Asked Questions

What is the IUPAC name of 3-(3-piperidin-4-ylphenyl)butan-1-amine?
The IUPAC name of 3-(3-piperidin-4-ylphenyl)butan-1-amine (CID 117336960) is 3-(3-piperidin-4-ylphenyl)butan-1-amine.
What is the SMILES notation for 3-(3-piperidin-4-ylphenyl)butan-1-amine?
The canonical SMILES for 3-(3-piperidin-4-ylphenyl)butan-1-amine is CC(CCN)c1cccc(C2CCNCC2)c1.
What is the InChIKey of 3-(3-piperidin-4-ylphenyl)butan-1-amine?
The InChIKey is JIAONOYQLUQWBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2/c1-12(5-8-16)14-3-2-4-15(11-14)13-6-9-17-10-7-13/h2-4,11-13,17H,5-10,16H2,1H3.
What are the key properties of 3-(3-piperidin-4-ylphenyl)butan-1-amine?
3-(3-piperidin-4-ylphenyl)butan-1-amine has a molecular weight of 232.37 g/mol, XLogP of 2.61, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-piperidin-4-ylphenyl)butan-1-amine is sourced from PubChem (CID 117336960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).