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

C18H27NO — CID 62612164

IUPAC2-methyl-1-phenyl-3-(4-propylpiperidin-1-yl)propan-1-one
SMILESCCCC1CCN(CC(C)C(=O)c2ccccc2)CC1
InChIInChI=1S/C18H27NO/c1-3-7-16-10-12-19(13-11-16)14-15(2)18(20)17-8-5-4-6-9-17/h4-6,8-9,15-16H,3,7,10-14H2,1-2H3
InChIKeyLNVJCECSVOJJFR-UHFFFAOYSA-N
MW273.42 g/mol
LogP4.02
Rot. Bonds6

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

2-methyl-1-phenyl-3-(4-propylpiperidin-1-yl)propan-1-one (PubChem CID 62612164) has the molecular formula C18H27NO and a molecular weight of 273.42 g/mol. Its IUPAC name is 2-methyl-1-phenyl-3-(4-propylpiperidin-1-yl)propan-1-one.

Molecular Properties

Compound Name2-methyl-1-phenyl-3-(4-propylpiperidin-1-yl)propan-1-one
PubChem CID62612164
Molecular FormulaC18H27NO
Molecular Weight273.42 g/mol
Exact Mass273.21
IUPAC Name2-methyl-1-phenyl-3-(4-propylpiperidin-1-yl)propan-1-one
SMILESCCCC1CCN(CC(C)C(=O)c2ccccc2)CC1
InChIInChI=1S/C18H27NO/c1-3-7-16-10-12-19(13-11-16)14-15(2)18(20)17-8-5-4-6-9-17/h4-6,8-9,15-16H,3,7,10-14H2,1-2H3
InChIKeyLNVJCECSVOJJFR-UHFFFAOYSA-N
XLogP4.02
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 ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-3-(4-methylpiperidin-1-yl)-1-phenylpropan-1-one
CID 3599580
(2S)-2-methyl-3-[4-[(2R)-2-methyl-3-oxo-3-phenylpropyl]piperazin-1-yl]-1-phenylpropan-1-one
CID 92774232
3-(azepan-1-yl)-2-methyl-1-phenylpropan-1-one
CID 2848399
1-phenyl-2-(4-propylpiperidin-1-yl)butan-1-one
CID 63567919
3-(4-tert-butylpiperazin-1-yl)-2-methyl-1-phenylpropan-1-one
CID 62613502
1-phenyl-3-(4-propylpiperidin-1-yl)propan-1-one
CID 62614251
3-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methyl-1-phenylpropan-1-one
CID 62613125
1-phenyl-2-(4-propylpiperidin-1-yl)ethanol
CID 62206996
4-cyclopropyl-2-methyl-1-phenylbutan-1-one
CID 104845058
3-(2,6-dimethylmorpholin-4-yl)-2-methyl-1-phenylpropan-1-one
CID 55094936
3-(4-benzylpiperidin-1-yl)-2-methylpropanoic acid
CID 43538761
1-(2-methoxyphenyl)-2-(4-propylpiperidin-1-yl)ethanol
CID 62205945

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-phenyl-3-(4-propylpiperidin-1-yl)propan-1-one?
The IUPAC name of 2-methyl-1-phenyl-3-(4-propylpiperidin-1-yl)propan-1-one (CID 62612164) is 2-methyl-1-phenyl-3-(4-propylpiperidin-1-yl)propan-1-one.
What is the SMILES notation for 2-methyl-1-phenyl-3-(4-propylpiperidin-1-yl)propan-1-one?
The canonical SMILES for 2-methyl-1-phenyl-3-(4-propylpiperidin-1-yl)propan-1-one is CCCC1CCN(CC(C)C(=O)c2ccccc2)CC1.
What is the InChIKey of 2-methyl-1-phenyl-3-(4-propylpiperidin-1-yl)propan-1-one?
The InChIKey is LNVJCECSVOJJFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO/c1-3-7-16-10-12-19(13-11-16)14-15(2)18(20)17-8-5-4-6-9-17/h4-6,8-9,15-16H,3,7,10-14H2,1-2H3.
What are the key properties of 2-methyl-1-phenyl-3-(4-propylpiperidin-1-yl)propan-1-one?
2-methyl-1-phenyl-3-(4-propylpiperidin-1-yl)propan-1-one has a molecular weight of 273.42 g/mol, XLogP of 4.02, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-phenyl-3-(4-propylpiperidin-1-yl)propan-1-one is sourced from PubChem (CID 62612164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).