2-methyl-1-(3-propan-2-ylphenyl)piperidin-4-one

C15H21NO — CID 54975286

IUPAC2-methyl-1-(3-propan-2-ylphenyl)piperidin-4-one
SMILESCC(C)c1cccc(N2CCC(=O)CC2C)c1
InChIInChI=1S/C15H21NO/c1-11(2)13-5-4-6-14(10-13)16-8-7-15(17)9-12(16)3/h4-6,10-12H,7-9H2,1-3H3
InChIKeyKFLRHLAXECVWIU-UHFFFAOYSA-N
MW231.34 g/mol
LogP3.37
Rot. Bonds2

About 2-methyl-1-(3-propan-2-ylphenyl)piperidin-4-one

2-methyl-1-(3-propan-2-ylphenyl)piperidin-4-one (PubChem CID 54975286) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is 2-methyl-1-(3-propan-2-ylphenyl)piperidin-4-one.

Molecular Properties

Compound Name2-methyl-1-(3-propan-2-ylphenyl)piperidin-4-one
PubChem CID54975286
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Name2-methyl-1-(3-propan-2-ylphenyl)piperidin-4-one
SMILESCC(C)c1cccc(N2CCC(=O)CC2C)c1
InChIInChI=1S/C15H21NO/c1-11(2)13-5-4-6-14(10-13)16-8-7-15(17)9-12(16)3/h4-6,10-12H,7-9H2,1-3H3
InChIKeyKFLRHLAXECVWIU-UHFFFAOYSA-N
XLogP3.37
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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BW 284C51
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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(3-propan-2-ylphenyl)piperidin-4-one?
The IUPAC name of 2-methyl-1-(3-propan-2-ylphenyl)piperidin-4-one (CID 54975286) is 2-methyl-1-(3-propan-2-ylphenyl)piperidin-4-one.
What is the SMILES notation for 2-methyl-1-(3-propan-2-ylphenyl)piperidin-4-one?
The canonical SMILES for 2-methyl-1-(3-propan-2-ylphenyl)piperidin-4-one is CC(C)c1cccc(N2CCC(=O)CC2C)c1.
What is the InChIKey of 2-methyl-1-(3-propan-2-ylphenyl)piperidin-4-one?
The InChIKey is KFLRHLAXECVWIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO/c1-11(2)13-5-4-6-14(10-13)16-8-7-15(17)9-12(16)3/h4-6,10-12H,7-9H2,1-3H3.
What are the key properties of 2-methyl-1-(3-propan-2-ylphenyl)piperidin-4-one?
2-methyl-1-(3-propan-2-ylphenyl)piperidin-4-one has a molecular weight of 231.34 g/mol, XLogP of 3.37, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(3-propan-2-ylphenyl)piperidin-4-one is sourced from PubChem (CID 54975286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).