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

C16H23NO — CID 688590

IUPAC(2R)-2-methyl-1-(4-methylphenyl)-3-piperidin-1-ylpropan-1-one
SMILESCc1ccc(C(=O)[C@H](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/t14-/m1/s1
InChIKeyFSKFPVLPFLJRQB-CQSZACIVSA-N
MW245.37 g/mol
LogP3.30
Rot. Bonds4

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

(2R)-2-methyl-1-(4-methylphenyl)-3-piperidin-1-ylpropan-1-one (PubChem CID 688590) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is (2R)-2-methyl-1-(4-methylphenyl)-3-piperidin-1-ylpropan-1-one.

Molecular Properties

Compound Name(2R)-2-methyl-1-(4-methylphenyl)-3-piperidin-1-ylpropan-1-one
PubChem CID688590
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC Name(2R)-2-methyl-1-(4-methylphenyl)-3-piperidin-1-ylpropan-1-one
SMILESCc1ccc(C(=O)[C@H](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/t14-/m1/s1
InChIKeyFSKFPVLPFLJRQB-CQSZACIVSA-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

Tolperisone
CID 5511
Melperone
CID 15387
Diethylpropion
CID 7029
Eperisone
CID 3236
Diethylpropion Hydrochloride
CID 91442
Tolperisone Hydrochloride
CID 92965
Pyrovalerone
CID 14373
Melperone hydrochloride
CID 9926325
Eperisone Hydrochloride
CID 123698
1-Propanone, 3-(dimethylamino)-1-phenyl-, hydrochloride (1:1)
CID 92844
Lenperone
CID 32593
DuP 734
CID 121967

Frequently Asked Questions

What is the IUPAC name of (2R)-2-methyl-1-(4-methylphenyl)-3-piperidin-1-ylpropan-1-one?
The IUPAC name of (2R)-2-methyl-1-(4-methylphenyl)-3-piperidin-1-ylpropan-1-one (CID 688590) is (2R)-2-methyl-1-(4-methylphenyl)-3-piperidin-1-ylpropan-1-one.
What is the SMILES notation for (2R)-2-methyl-1-(4-methylphenyl)-3-piperidin-1-ylpropan-1-one?
The canonical SMILES for (2R)-2-methyl-1-(4-methylphenyl)-3-piperidin-1-ylpropan-1-one is Cc1ccc(C(=O)[C@H](C)CN2CCCCC2)cc1.
What is the InChIKey of (2R)-2-methyl-1-(4-methylphenyl)-3-piperidin-1-ylpropan-1-one?
The InChIKey is FSKFPVLPFLJRQB-CQSZACIVSA-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/t14-/m1/s1.
What are the key properties of (2R)-2-methyl-1-(4-methylphenyl)-3-piperidin-1-ylpropan-1-one?
(2R)-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 (2R)-2-methyl-1-(4-methylphenyl)-3-piperidin-1-ylpropan-1-one is sourced from PubChem (CID 688590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).