4-phenyl-1-(4-propylpiperidin-1-yl)butan-2-amine

C18H30N2 — CID 114929692

IUPAC4-phenyl-1-(4-propylpiperidin-1-yl)butan-2-amine
SMILESCCCC1CCN(CC(N)CCc2ccccc2)CC1
InChIInChI=1S/C18H30N2/c1-2-6-16-11-13-20(14-12-16)15-18(19)10-9-17-7-4-3-5-8-17/h3-5,7-8,16,18H,2,6,9-15,19H2,1H3
InChIKeyZWPCJRNKRWNBBV-UHFFFAOYSA-N
MW274.45 g/mol
LogP3.46
Rot. Bonds7

About 4-phenyl-1-(4-propylpiperidin-1-yl)butan-2-amine

4-phenyl-1-(4-propylpiperidin-1-yl)butan-2-amine (PubChem CID 114929692) has the molecular formula C18H30N2 and a molecular weight of 274.45 g/mol. Its IUPAC name is 4-phenyl-1-(4-propylpiperidin-1-yl)butan-2-amine.

Molecular Properties

Compound Name4-phenyl-1-(4-propylpiperidin-1-yl)butan-2-amine
PubChem CID114929692
Molecular FormulaC18H30N2
Molecular Weight274.45 g/mol
Exact Mass274.24
IUPAC Name4-phenyl-1-(4-propylpiperidin-1-yl)butan-2-amine
SMILESCCCC1CCN(CC(N)CCc2ccccc2)CC1
InChIInChI=1S/C18H30N2/c1-2-6-16-11-13-20(14-12-16)15-18(19)10-9-17-7-4-3-5-8-17/h3-5,7-8,16,18H,2,6,9-15,19H2,1H3
InChIKeyZWPCJRNKRWNBBV-UHFFFAOYSA-N
XLogP3.46
TPSA29.26 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 ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-phenyl-3-(4-propylpiperidin-1-yl)propan-2-amine
CID 62205972
1-(4-ethylazepan-1-yl)-4-phenylbutan-2-amine
CID 114929756
1-(4-methylpiperidin-1-yl)-4-phenylbutan-2-amine
CID 114929474
4-phenyl-1-(3-propan-2-ylpyrrolidin-1-yl)butan-2-amine
CID 114929839
4-phenyl-1-pyrrolidin-1-ylbutan-2-amine
CID 114929475
1-[4-(2-methylpropyl)piperazin-1-yl]-4-phenylbutan-2-amine
CID 114929701
1-(azocan-1-yl)-4-phenylbutan-2-amine
CID 114929504
1-(3-methylpiperidin-1-yl)-4-phenylbutan-2-amine
CID 114929481
(2S)-1-(4-benzylpiperidin-1-yl)-3-phenylpropan-2-amine
CID 22689597
(3R)-1-phenylhexan-3-amine
CID 66612996
1-benzyl-3-propylpyrrolidine
CID 12648211
1-phenyl-2-(4-propylpiperidin-1-yl)ethanol
CID 62206996

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-1-(4-propylpiperidin-1-yl)butan-2-amine?
The IUPAC name of 4-phenyl-1-(4-propylpiperidin-1-yl)butan-2-amine (CID 114929692) is 4-phenyl-1-(4-propylpiperidin-1-yl)butan-2-amine.
What is the SMILES notation for 4-phenyl-1-(4-propylpiperidin-1-yl)butan-2-amine?
The canonical SMILES for 4-phenyl-1-(4-propylpiperidin-1-yl)butan-2-amine is CCCC1CCN(CC(N)CCc2ccccc2)CC1.
What is the InChIKey of 4-phenyl-1-(4-propylpiperidin-1-yl)butan-2-amine?
The InChIKey is ZWPCJRNKRWNBBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2/c1-2-6-16-11-13-20(14-12-16)15-18(19)10-9-17-7-4-3-5-8-17/h3-5,7-8,16,18H,2,6,9-15,19H2,1H3.
What are the key properties of 4-phenyl-1-(4-propylpiperidin-1-yl)butan-2-amine?
4-phenyl-1-(4-propylpiperidin-1-yl)butan-2-amine has a molecular weight of 274.45 g/mol, XLogP of 3.46, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-1-(4-propylpiperidin-1-yl)butan-2-amine is sourced from PubChem (CID 114929692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).