1-(4-ethylphenyl)-2-methyl-3-piperidin-1-ylpropan-1-one

C17H25NO — CID 3236

IUPAC1-(4-ethylphenyl)-2-methyl-3-piperidin-1-ylpropan-1-one
SMILESCCc1ccc(C(=O)C(C)CN2CCCCC2)cc1
InChIInChI=1S/C17H25NO/c1-3-15-7-9-16(10-8-15)17(19)14(2)13-18-11-5-4-6-12-18/h7-10,14H,3-6,11-13H2,1-2H3
InChIKeySQUNAWUMZGQQJD-UHFFFAOYSA-N
MW259.39 g/mol
LogP3.55
Rot. Bonds5

About 1-(4-ethylphenyl)-2-methyl-3-piperidin-1-ylpropan-1-one

1-(4-ethylphenyl)-2-methyl-3-piperidin-1-ylpropan-1-one (PubChem CID 3236) has the molecular formula C17H25NO and a molecular weight of 259.39 g/mol. Its IUPAC name is 1-(4-ethylphenyl)-2-methyl-3-piperidin-1-ylpropan-1-one.

Molecular Properties

Compound Name1-(4-ethylphenyl)-2-methyl-3-piperidin-1-ylpropan-1-one
PubChem CID3236
Molecular FormulaC17H25NO
Molecular Weight259.39 g/mol
Exact Mass259.19
IUPAC Name1-(4-ethylphenyl)-2-methyl-3-piperidin-1-ylpropan-1-one
SMILESCCc1ccc(C(=O)C(C)CN2CCCCC2)cc1
InChIInChI=1S/C17H25NO/c1-3-15-7-9-16(10-8-15)17(19)14(2)13-18-11-5-4-6-12-18/h7-10,14H,3-6,11-13H2,1-2H3
InChIKeySQUNAWUMZGQQJD-UHFFFAOYSA-N
XLogP3.55
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Tolperisone
CID 5511
Melperone
CID 15387
Diethylpropion
CID 7029
Diethylpropion Hydrochloride
CID 91442
Tolperisone Hydrochloride
CID 92965
Pyrovalerone
CID 14373
Eperisone Hydrochloride
CID 123698
1-Propanone, 3-(dimethylamino)-1-phenyl-, hydrochloride (1:1)
CID 92844
Lenperone
CID 32593
Melperone hydrochloride
CID 9926325
DuP 734
CID 121967
Lanperisone
CID 198707

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylphenyl)-2-methyl-3-piperidin-1-ylpropan-1-one?
The IUPAC name of 1-(4-ethylphenyl)-2-methyl-3-piperidin-1-ylpropan-1-one (CID 3236) is 1-(4-ethylphenyl)-2-methyl-3-piperidin-1-ylpropan-1-one.
What is the SMILES notation for 1-(4-ethylphenyl)-2-methyl-3-piperidin-1-ylpropan-1-one?
The canonical SMILES for 1-(4-ethylphenyl)-2-methyl-3-piperidin-1-ylpropan-1-one is CCc1ccc(C(=O)C(C)CN2CCCCC2)cc1.
What is the InChIKey of 1-(4-ethylphenyl)-2-methyl-3-piperidin-1-ylpropan-1-one?
The InChIKey is SQUNAWUMZGQQJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO/c1-3-15-7-9-16(10-8-15)17(19)14(2)13-18-11-5-4-6-12-18/h7-10,14H,3-6,11-13H2,1-2H3.
What are the key properties of 1-(4-ethylphenyl)-2-methyl-3-piperidin-1-ylpropan-1-one?
1-(4-ethylphenyl)-2-methyl-3-piperidin-1-ylpropan-1-one has a molecular weight of 259.39 g/mol, XLogP of 3.55, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylphenyl)-2-methyl-3-piperidin-1-ylpropan-1-one is sourced from PubChem (CID 3236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).