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

C16H23NO — CID 5511

💊View drug profile → tolperisone
IUPAC2-methyl-1-(4-methylphenyl)-3-piperidin-1-ylpropan-1-one
SMILESCc1ccc(C(=O)C(C)CN2CCCCC2)cc1
InChIInChI=1S/C16H23NO/c1-13-6-8-15(9-7-13)16(18)14(2)12-17-10-4-3-5-11-17/h6-9,14H,3-5,10-12H2,1-2H3
InChIKeyFSKFPVLPFLJRQB-UHFFFAOYSA-N
MW245.37 g/mol
LogP3.30
Rot. Bonds4

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

2-methyl-1-(4-methylphenyl)-3-piperidin-1-ylpropan-1-one (PubChem CID 5511) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is 2-methyl-1-(4-methylphenyl)-3-piperidin-1-ylpropan-1-one.

Molecular Properties

Compound Name2-methyl-1-(4-methylphenyl)-3-piperidin-1-ylpropan-1-one
PubChem CID5511
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC Name2-methyl-1-(4-methylphenyl)-3-piperidin-1-ylpropan-1-one
SMILESCc1ccc(C(=O)C(C)CN2CCCCC2)cc1
InChIInChI=1S/C16H23NO/c1-13-6-8-15(9-7-13)16(18)14(2)12-17-10-4-3-5-11-17/h6-9,14H,3-5,10-12H2,1-2H3
InChIKeyFSKFPVLPFLJRQB-UHFFFAOYSA-N
XLogP3.30
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Melperone
CID 15387
Diethylpropion
CID 7029
Diethylpropion Hydrochloride
CID 91442
Eperisone
CID 3236
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 2-methyl-1-(4-methylphenyl)-3-piperidin-1-ylpropan-1-one?
The IUPAC name of 2-methyl-1-(4-methylphenyl)-3-piperidin-1-ylpropan-1-one (CID 5511) is 2-methyl-1-(4-methylphenyl)-3-piperidin-1-ylpropan-1-one.
What is the SMILES notation for 2-methyl-1-(4-methylphenyl)-3-piperidin-1-ylpropan-1-one?
The canonical SMILES for 2-methyl-1-(4-methylphenyl)-3-piperidin-1-ylpropan-1-one is Cc1ccc(C(=O)C(C)CN2CCCCC2)cc1.
What is the InChIKey of 2-methyl-1-(4-methylphenyl)-3-piperidin-1-ylpropan-1-one?
The InChIKey is FSKFPVLPFLJRQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO/c1-13-6-8-15(9-7-13)16(18)14(2)12-17-10-4-3-5-11-17/h6-9,14H,3-5,10-12H2,1-2H3.
What are the key properties of 2-methyl-1-(4-methylphenyl)-3-piperidin-1-ylpropan-1-one?
2-methyl-1-(4-methylphenyl)-3-piperidin-1-ylpropan-1-one has a molecular weight of 245.37 g/mol, XLogP of 3.30, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(4-methylphenyl)-3-piperidin-1-ylpropan-1-one is sourced from PubChem (CID 5511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).