1-phenyl-N-(2-piperidin-1-ylpropyl)butan-1-amine

C18H30N2 — CID 61010867

IUPAC1-phenyl-N-(2-piperidin-1-ylpropyl)butan-1-amine
SMILESCCCC(NCC(C)N1CCCCC1)c1ccccc1
InChIInChI=1S/C18H30N2/c1-3-10-18(17-11-6-4-7-12-17)19-15-16(2)20-13-8-5-9-14-20/h4,6-7,11-12,16,18-19H,3,5,8-10,13-15H2,1-2H3
InChIKeyFQZLXLGZBFHYGO-UHFFFAOYSA-N
MW274.45 g/mol
LogP3.99
Rot. Bonds7

About 1-phenyl-N-(2-piperidin-1-ylpropyl)butan-1-amine

1-phenyl-N-(2-piperidin-1-ylpropyl)butan-1-amine (PubChem CID 61010867) has the molecular formula C18H30N2 and a molecular weight of 274.45 g/mol. Its IUPAC name is 1-phenyl-N-(2-piperidin-1-ylpropyl)butan-1-amine.

Molecular Properties

Compound Name1-phenyl-N-(2-piperidin-1-ylpropyl)butan-1-amine
PubChem CID61010867
Molecular FormulaC18H30N2
Molecular Weight274.45 g/mol
Exact Mass274.24
IUPAC Name1-phenyl-N-(2-piperidin-1-ylpropyl)butan-1-amine
SMILESCCCC(NCC(C)N1CCCCC1)c1ccccc1
InChIInChI=1S/C18H30N2/c1-3-10-18(17-11-6-4-7-12-17)19-15-16(2)20-13-8-5-9-14-20/h4,6-7,11-12,16,18-19H,3,5,8-10,13-15H2,1-2H3
InChIKeyFQZLXLGZBFHYGO-UHFFFAOYSA-N
XLogP3.99
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
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

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Related Compounds

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CID 79139729
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N-(2-methyl-3-pyrrolidin-1-ylpropyl)-1-phenylpentan-1-amine
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2-phenyl-N-(2-pyrrolidin-1-ylpropyl)propan-1-amine
CID 113222784
N-[2-(azocan-1-yl)propyl]aniline
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1-phenyl-N-propan-2-ylbutan-1-amine
CID 43177244
(2S)-N-benzyl-2-piperidin-1-ylpropan-1-amine
CID 92753834
(2R)-N-[(1S)-2-methylsulfanyl-1-phenylethyl]-2-morpholin-4-ylpropan-1-amine
CID 99602446
N-[(1R)-1-phenyl-2-piperidin-1-ylethyl]propan-1-amine
CID 58330527
N-[(1-methylpyrrolidin-3-yl)methyl]-1-phenylbutan-1-amine
CID 60856064
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CID 20642754
1-phenyl-N-[(2-pyrrolidin-1-yl-3-pyridinyl)methyl]butan-1-amine
CID 136551934

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-N-(2-piperidin-1-ylpropyl)butan-1-amine?
The IUPAC name of 1-phenyl-N-(2-piperidin-1-ylpropyl)butan-1-amine (CID 61010867) is 1-phenyl-N-(2-piperidin-1-ylpropyl)butan-1-amine.
What is the SMILES notation for 1-phenyl-N-(2-piperidin-1-ylpropyl)butan-1-amine?
The canonical SMILES for 1-phenyl-N-(2-piperidin-1-ylpropyl)butan-1-amine is CCCC(NCC(C)N1CCCCC1)c1ccccc1.
What is the InChIKey of 1-phenyl-N-(2-piperidin-1-ylpropyl)butan-1-amine?
The InChIKey is FQZLXLGZBFHYGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2/c1-3-10-18(17-11-6-4-7-12-17)19-15-16(2)20-13-8-5-9-14-20/h4,6-7,11-12,16,18-19H,3,5,8-10,13-15H2,1-2H3.
What are the key properties of 1-phenyl-N-(2-piperidin-1-ylpropyl)butan-1-amine?
1-phenyl-N-(2-piperidin-1-ylpropyl)butan-1-amine has a molecular weight of 274.45 g/mol, XLogP of 3.99, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-N-(2-piperidin-1-ylpropyl)butan-1-amine is sourced from PubChem (CID 61010867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).