1-phenyl-N-(3-piperidin-1-ylpropyl)butan-1-amine

C18H30N2 — CID 43098185

IUPAC1-phenyl-N-(3-piperidin-1-ylpropyl)butan-1-amine
SMILESCCCC(NCCCN1CCCCC1)c1ccccc1
InChIInChI=1S/C18H30N2/c1-2-10-18(17-11-5-3-6-12-17)19-13-9-16-20-14-7-4-8-15-20/h3,5-6,11-12,18-19H,2,4,7-10,13-16H2,1H3
InChIKeyUAPQWIMVIKKXOA-UHFFFAOYSA-N
MW274.45 g/mol
LogP3.99
Rot. Bonds8

About 1-phenyl-N-(3-piperidin-1-ylpropyl)butan-1-amine

1-phenyl-N-(3-piperidin-1-ylpropyl)butan-1-amine (PubChem CID 43098185) has the molecular formula C18H30N2 and a molecular weight of 274.45 g/mol. Its IUPAC name is 1-phenyl-N-(3-piperidin-1-ylpropyl)butan-1-amine.

Molecular Properties

Compound Name1-phenyl-N-(3-piperidin-1-ylpropyl)butan-1-amine
PubChem CID43098185
Molecular FormulaC18H30N2
Molecular Weight274.45 g/mol
Exact Mass274.24
IUPAC Name1-phenyl-N-(3-piperidin-1-ylpropyl)butan-1-amine
SMILESCCCC(NCCCN1CCCCC1)c1ccccc1
InChIInChI=1S/C18H30N2/c1-2-10-18(17-11-5-3-6-12-17)19-13-9-16-20-14-7-4-8-15-20/h3,5-6,11-12,18-19H,2,4,7-10,13-16H2,1H3
InChIKeyUAPQWIMVIKKXOA-UHFFFAOYSA-N
XLogP3.99
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.45
LogP ≤ 53.99
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

1-phenyl-N-(3-pyrrolidin-1-ylpropyl)propan-1-amine
CID 43203842
N-[3-(4-methylpiperidin-1-yl)propyl]-1-phenylbutan-1-amine
CID 43104102
N-(2-chloro-1-phenylethyl)-3-pyrrolidin-1-ylpropan-1-amine
CID 65026030
N-(2-methoxy-1-phenylethyl)-3-pyrrolidin-1-ylpropan-1-amine
CID 103913589
(1R,2S)-1-phenyl-2-(3-piperidin-1-ylpropylamino)hexan-1-ol
CID 24834662
N-[(1R)-1-phenyl-2-piperidin-1-ylethyl]propan-1-amine
CID 58330527
1-(4-chlorophenyl)-N-(2-piperidin-1-ylethyl)butan-1-amine
CID 63454308
N-[2-(4-methylpiperidin-1-yl)ethyl]-1-phenylbutan-1-amine
CID 61241035
N-(3,3-diphenylpropyl)-1-phenylbutan-1-amine
CID 20642754
1-phenyl-N-(2-piperidin-1-ylpropyl)butan-1-amine
CID 61010867
(1R,2R)-5-methyl-1-phenyl-2-(3-piperidin-1-ylpropylamino)hexan-1-ol
CID 24834651
N-(3-cyclopentylpropyl)-1-phenylbutan-1-amine
CID 106008352

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-N-(3-piperidin-1-ylpropyl)butan-1-amine?
The IUPAC name of 1-phenyl-N-(3-piperidin-1-ylpropyl)butan-1-amine (CID 43098185) is 1-phenyl-N-(3-piperidin-1-ylpropyl)butan-1-amine.
What is the SMILES notation for 1-phenyl-N-(3-piperidin-1-ylpropyl)butan-1-amine?
The canonical SMILES for 1-phenyl-N-(3-piperidin-1-ylpropyl)butan-1-amine is CCCC(NCCCN1CCCCC1)c1ccccc1.
What is the InChIKey of 1-phenyl-N-(3-piperidin-1-ylpropyl)butan-1-amine?
The InChIKey is UAPQWIMVIKKXOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2/c1-2-10-18(17-11-5-3-6-12-17)19-13-9-16-20-14-7-4-8-15-20/h3,5-6,11-12,18-19H,2,4,7-10,13-16H2,1H3.
What are the key properties of 1-phenyl-N-(3-piperidin-1-ylpropyl)butan-1-amine?
1-phenyl-N-(3-piperidin-1-ylpropyl)butan-1-amine has a molecular weight of 274.45 g/mol, XLogP of 3.99, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-N-(3-piperidin-1-ylpropyl)butan-1-amine is sourced from PubChem (CID 43098185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).