4-(1-phenylpiperidin-2-yl)butan-1-amine

C15H24N2 — CID 70110239

IUPAC4-(1-phenylpiperidin-2-yl)butan-1-amine
SMILESNCCCCC1CCCCN1c1ccccc1
InChIInChI=1S/C15H24N2/c16-12-6-4-10-15-11-5-7-13-17(15)14-8-2-1-3-9-14/h1-3,8-9,15H,4-7,10-13,16H2
InChIKeyPLOHWCNEGBYNCG-UHFFFAOYSA-N
MW232.37 g/mol
LogP3.17
Rot. Bonds5

About 4-(1-phenylpiperidin-2-yl)butan-1-amine

4-(1-phenylpiperidin-2-yl)butan-1-amine (PubChem CID 70110239) has the molecular formula C15H24N2 and a molecular weight of 232.37 g/mol. Its IUPAC name is 4-(1-phenylpiperidin-2-yl)butan-1-amine.

Molecular Properties

Compound Name4-(1-phenylpiperidin-2-yl)butan-1-amine
PubChem CID70110239
Molecular FormulaC15H24N2
Molecular Weight232.37 g/mol
Exact Mass232.19
IUPAC Name4-(1-phenylpiperidin-2-yl)butan-1-amine
SMILESNCCCCC1CCCCN1c1ccccc1
InChIInChI=1S/C15H24N2/c16-12-6-4-10-15-11-5-7-13-17(15)14-8-2-1-3-9-14/h1-3,8-9,15H,4-7,10-13,16H2
InChIKeyPLOHWCNEGBYNCG-UHFFFAOYSA-N
XLogP3.17
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

[(2R)-1-phenylpiperidin-2-yl]methanamine
CID 131023899
3-(1-pyridin-4-ylpyrrolidin-2-yl)propan-1-amine
CID 63758931
1-phenyl-2-(2-phenylethyl)pyrrolidine
CID 10922989
4-(1-phenyl-3,4-dihydro-2H-pyridin-2-yl)butan-1-amine
CID 70108872
3-(1-phenylpyrrolidin-2-yl)propanoic acid
CID 117028652
4-(2-butylazepan-1-yl)aniline
CID 23103802
3-(1-benzylazepan-2-yl)propan-1-amine
CID 83488248
2-[1-(2-chlorophenyl)piperidin-2-yl]ethanamine
CID 82388545
2-cyclohexyl-1-phenylpiperidine
CID 11736671
3-[1-(1,3-benzoxazol-2-yl)pyrrolidin-2-yl]propan-1-amine
CID 63759489
2-[(2S)-1-(3-methylphenyl)pyrrolidin-2-yl]ethanamine
CID 96618274
2-(2-methylpropyl)-1-phenylpyrrolidine
CID 11241145

Frequently Asked Questions

What is the IUPAC name of 4-(1-phenylpiperidin-2-yl)butan-1-amine?
The IUPAC name of 4-(1-phenylpiperidin-2-yl)butan-1-amine (CID 70110239) is 4-(1-phenylpiperidin-2-yl)butan-1-amine.
What is the SMILES notation for 4-(1-phenylpiperidin-2-yl)butan-1-amine?
The canonical SMILES for 4-(1-phenylpiperidin-2-yl)butan-1-amine is NCCCCC1CCCCN1c1ccccc1.
What is the InChIKey of 4-(1-phenylpiperidin-2-yl)butan-1-amine?
The InChIKey is PLOHWCNEGBYNCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2/c16-12-6-4-10-15-11-5-7-13-17(15)14-8-2-1-3-9-14/h1-3,8-9,15H,4-7,10-13,16H2.
What are the key properties of 4-(1-phenylpiperidin-2-yl)butan-1-amine?
4-(1-phenylpiperidin-2-yl)butan-1-amine has a molecular weight of 232.37 g/mol, XLogP of 3.17, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-phenylpiperidin-2-yl)butan-1-amine is sourced from PubChem (CID 70110239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).