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

C18H27NO — CID 63567919

IUPAC1-phenyl-2-(4-propylpiperidin-1-yl)butan-1-one
SMILESCCCC1CCN(C(CC)C(=O)c2ccccc2)CC1
InChIInChI=1S/C18H27NO/c1-3-8-15-11-13-19(14-12-15)17(4-2)18(20)16-9-6-5-7-10-16/h5-7,9-10,15,17H,3-4,8,11-14H2,1-2H3
InChIKeyNWRCGBBXEJWIAR-UHFFFAOYSA-N
MW273.42 g/mol
LogP4.16
Rot. Bonds6

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

1-phenyl-2-(4-propylpiperidin-1-yl)butan-1-one (PubChem CID 63567919) has the molecular formula C18H27NO and a molecular weight of 273.42 g/mol. Its IUPAC name is 1-phenyl-2-(4-propylpiperidin-1-yl)butan-1-one.

Molecular Properties

Compound Name1-phenyl-2-(4-propylpiperidin-1-yl)butan-1-one
PubChem CID63567919
Molecular FormulaC18H27NO
Molecular Weight273.42 g/mol
Exact Mass273.21
IUPAC Name1-phenyl-2-(4-propylpiperidin-1-yl)butan-1-one
SMILESCCCC1CCN(C(CC)C(=O)c2ccccc2)CC1
InChIInChI=1S/C18H27NO/c1-3-8-15-11-13-19(14-12-15)17(4-2)18(20)16-9-6-5-7-10-16/h5-7,9-10,15,17H,3-4,8,11-14H2,1-2H3
InChIKeyNWRCGBBXEJWIAR-UHFFFAOYSA-N
XLogP4.16
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[3-(aminomethyl)pyrrolidin-1-yl]-1-phenylbutan-1-one
CID 62062745
2-[3-(methoxymethyl)pyrrolidin-1-yl]-1-phenylbutan-1-one
CID 64598997
2-methyl-1-phenyl-3-(4-propylpiperidin-1-yl)propan-1-one
CID 62612164
(2S)-1-phenyl-2-pyrrolidin-1-ylpentan-1-one
CID 86310958
1-phenyl-2-(3,4,5-trimethylpiperazin-1-yl)butan-1-one
CID 114538592
1-phenyl-2-(1,4-thiazepan-4-yl)butan-1-one
CID 62030314
2-(3,4-dimethylpiperazin-1-yl)-1-phenylbutan-1-one
CID 55215618
2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-1-phenylbutan-1-one
CID 79943730
1-phenyl-3-(4-propylpiperidin-1-yl)propan-1-one
CID 62614251
1-(4-aminophenyl)-2-(4-methylpiperidin-1-yl)butan-1-one
CID 82256532
2-(4-ethyl-3-methylpiperazin-1-yl)-1-phenylbutan-1-one
CID 63611147
2-(1-oxo-1-phenylbutan-2-yl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
CID 82856385

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-2-(4-propylpiperidin-1-yl)butan-1-one?
The IUPAC name of 1-phenyl-2-(4-propylpiperidin-1-yl)butan-1-one (CID 63567919) is 1-phenyl-2-(4-propylpiperidin-1-yl)butan-1-one.
What is the SMILES notation for 1-phenyl-2-(4-propylpiperidin-1-yl)butan-1-one?
The canonical SMILES for 1-phenyl-2-(4-propylpiperidin-1-yl)butan-1-one is CCCC1CCN(C(CC)C(=O)c2ccccc2)CC1.
What is the InChIKey of 1-phenyl-2-(4-propylpiperidin-1-yl)butan-1-one?
The InChIKey is NWRCGBBXEJWIAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO/c1-3-8-15-11-13-19(14-12-15)17(4-2)18(20)16-9-6-5-7-10-16/h5-7,9-10,15,17H,3-4,8,11-14H2,1-2H3.
What are the key properties of 1-phenyl-2-(4-propylpiperidin-1-yl)butan-1-one?
1-phenyl-2-(4-propylpiperidin-1-yl)butan-1-one has a molecular weight of 273.42 g/mol, XLogP of 4.16, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-2-(4-propylpiperidin-1-yl)butan-1-one is sourced from PubChem (CID 63567919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).