1-phenyl-3-(4-propylpiperidin-1-yl)propan-1-one

C17H25NO — CID 62614251

IUPAC1-phenyl-3-(4-propylpiperidin-1-yl)propan-1-one
SMILESCCCC1CCN(CCC(=O)c2ccccc2)CC1
InChIInChI=1S/C17H25NO/c1-2-6-15-9-12-18(13-10-15)14-11-17(19)16-7-4-3-5-8-16/h3-5,7-8,15H,2,6,9-14H2,1H3
InChIKeySPPRXYLKUHJQTR-UHFFFAOYSA-N
MW259.39 g/mol
LogP3.77
Rot. Bonds6

About 1-phenyl-3-(4-propylpiperidin-1-yl)propan-1-one

1-phenyl-3-(4-propylpiperidin-1-yl)propan-1-one (PubChem CID 62614251) has the molecular formula C17H25NO and a molecular weight of 259.39 g/mol. Its IUPAC name is 1-phenyl-3-(4-propylpiperidin-1-yl)propan-1-one.

Molecular Properties

Compound Name1-phenyl-3-(4-propylpiperidin-1-yl)propan-1-one
PubChem CID62614251
Molecular FormulaC17H25NO
Molecular Weight259.39 g/mol
Exact Mass259.19
IUPAC Name1-phenyl-3-(4-propylpiperidin-1-yl)propan-1-one
SMILESCCCC1CCN(CCC(=O)c2ccccc2)CC1
InChIInChI=1S/C17H25NO/c1-2-6-15-9-12-18(13-10-15)14-11-17(19)16-7-4-3-5-8-16/h3-5,7-8,15H,2,6,9-14H2,1H3
InChIKeySPPRXYLKUHJQTR-UHFFFAOYSA-N
XLogP3.77
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-methylphenyl)-3-(4-propylpiperidin-1-yl)propan-1-one
CID 62612163
3-(4-tert-butylpiperidin-1-yl)-1-phenylpropan-1-one
CID 62614079
2-[1-(3-oxo-3-phenylpropyl)piperidin-4-yl]acetamide
CID 115926022
1-(4-methylphenyl)-3-(3-propylpyrrolidin-1-yl)propan-1-one
CID 113418810
3-[3-(hydroxymethyl)pyrrolidin-1-yl]-1-phenylpropan-1-one
CID 112571405
3-(4-methylazepan-1-yl)-1-phenylpropan-1-one
CID 55249403
1-phenyl-3-(3-propan-2-ylpyrrolidin-1-yl)propan-1-one
CID 115928063
3-(4-methylpiperazin-1-yl)-1-phenylpropan-1-one chloride
CID 21231581
3-(4-ethylpiperidin-1-yl)-1-(4-methylphenyl)propan-1-one
CID 62613813
2-methyl-1-phenyl-3-(4-propylpiperidin-1-yl)propan-1-one
CID 62612164
3-(4-ethylpiperidin-1-yl)-1-(3-fluorophenyl)propan-1-one
CID 62643546
3-[4-(2-methoxyethyl)piperazin-1-yl]-1-phenylpropan-1-one
CID 118909812

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-3-(4-propylpiperidin-1-yl)propan-1-one?
The IUPAC name of 1-phenyl-3-(4-propylpiperidin-1-yl)propan-1-one (CID 62614251) is 1-phenyl-3-(4-propylpiperidin-1-yl)propan-1-one.
What is the SMILES notation for 1-phenyl-3-(4-propylpiperidin-1-yl)propan-1-one?
The canonical SMILES for 1-phenyl-3-(4-propylpiperidin-1-yl)propan-1-one is CCCC1CCN(CCC(=O)c2ccccc2)CC1.
What is the InChIKey of 1-phenyl-3-(4-propylpiperidin-1-yl)propan-1-one?
The InChIKey is SPPRXYLKUHJQTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO/c1-2-6-15-9-12-18(13-10-15)14-11-17(19)16-7-4-3-5-8-16/h3-5,7-8,15H,2,6,9-14H2,1H3.
What are the key properties of 1-phenyl-3-(4-propylpiperidin-1-yl)propan-1-one?
1-phenyl-3-(4-propylpiperidin-1-yl)propan-1-one has a molecular weight of 259.39 g/mol, XLogP of 3.77, 6 rotatable bonds, 0 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-1-one is sourced from PubChem (CID 62614251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).