1-phenyl-3-(4-propylpiperidin-1-yl)propan-2-amine

C17H28N2 — CID 62205972

IUPAC1-phenyl-3-(4-propylpiperidin-1-yl)propan-2-amine
SMILESCCCC1CCN(CC(N)Cc2ccccc2)CC1
InChIInChI=1S/C17H28N2/c1-2-6-15-9-11-19(12-10-15)14-17(18)13-16-7-4-3-5-8-16/h3-5,7-8,15,17H,2,6,9-14,18H2,1H3
InChIKeyQMLJQPWFTYPTBQ-UHFFFAOYSA-N
MW260.43 g/mol
LogP3.07
Rot. Bonds6

About 1-phenyl-3-(4-propylpiperidin-1-yl)propan-2-amine

1-phenyl-3-(4-propylpiperidin-1-yl)propan-2-amine (PubChem CID 62205972) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is 1-phenyl-3-(4-propylpiperidin-1-yl)propan-2-amine.

Molecular Properties

Compound Name1-phenyl-3-(4-propylpiperidin-1-yl)propan-2-amine
PubChem CID62205972
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC Name1-phenyl-3-(4-propylpiperidin-1-yl)propan-2-amine
SMILESCCCC1CCN(CC(N)Cc2ccccc2)CC1
InChIInChI=1S/C17H28N2/c1-2-6-15-9-11-19(12-10-15)14-17(18)13-16-7-4-3-5-8-16/h3-5,7-8,15,17H,2,6,9-14,18H2,1H3
InChIKeyQMLJQPWFTYPTBQ-UHFFFAOYSA-N
XLogP3.07
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.43
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-phenyl-1-(4-propylpiperidin-1-yl)butan-2-amine
CID 114929692
(2S)-1-(4-benzylpiperidin-1-yl)-3-phenylpropan-2-amine
CID 22689597
(2S)-1-[4-[2-[bis(4-fluorophenyl)methoxy]ethyl]piperidin-1-yl]-3-phenylpropan-2-amine
CID 11650367
1-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-3-phenylpropan-2-amine
CID 43620478
1-phenyl-2-(4-propylpiperidin-1-yl)ethanol
CID 62206996
1-(4,4-diethylpiperidin-1-yl)-3-phenylpropan-2-amine
CID 63161280
N-[1-phenyl-2-(4-propylpiperidin-1-yl)ethyl]propan-1-amine
CID 63469310
(2S)-1-[4-[2-[bis(4-fluorophenyl)methoxy]ethyl]piperidin-1-yl]-3-phenylpropan-2-amine;oxalic acid
CID 11650366
1-benzyl-3-propylpyrrolidine
CID 12648211
1-(4-ethylazepan-1-yl)-4-phenylbutan-2-amine
CID 114929756
(2R)-1-(2-ethylpyrrolidin-1-yl)-3-phenylpropan-2-amine
CID 112736480
2-methyl-1-phenyl-3-(4-propylpiperidin-1-yl)propan-1-one
CID 62612164

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-3-(4-propylpiperidin-1-yl)propan-2-amine?
The IUPAC name of 1-phenyl-3-(4-propylpiperidin-1-yl)propan-2-amine (CID 62205972) is 1-phenyl-3-(4-propylpiperidin-1-yl)propan-2-amine.
What is the SMILES notation for 1-phenyl-3-(4-propylpiperidin-1-yl)propan-2-amine?
The canonical SMILES for 1-phenyl-3-(4-propylpiperidin-1-yl)propan-2-amine is CCCC1CCN(CC(N)Cc2ccccc2)CC1.
What is the InChIKey of 1-phenyl-3-(4-propylpiperidin-1-yl)propan-2-amine?
The InChIKey is QMLJQPWFTYPTBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-2-6-15-9-11-19(12-10-15)14-17(18)13-16-7-4-3-5-8-16/h3-5,7-8,15,17H,2,6,9-14,18H2,1H3.
What are the key properties of 1-phenyl-3-(4-propylpiperidin-1-yl)propan-2-amine?
1-phenyl-3-(4-propylpiperidin-1-yl)propan-2-amine has a molecular weight of 260.43 g/mol, XLogP of 3.07, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-3-(4-propylpiperidin-1-yl)propan-2-amine is sourced from PubChem (CID 62205972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).