1-methyl-2-phenylpiperidin-4-one

C12H15NO — CID 604973

IUPAC1-methyl-2-phenylpiperidin-4-one
SMILESCN1CCC(=O)CC1c1ccccc1
InChIInChI=1S/C12H15NO/c1-13-8-7-11(14)9-12(13)10-5-3-2-4-6-10/h2-6,12H,7-9H2,1H3
InChIKeyFPQMUDFTSPDPCD-UHFFFAOYSA-N
MW189.26 g/mol
LogP2.02
Rot. Bonds1

About 1-methyl-2-phenylpiperidin-4-one

1-methyl-2-phenylpiperidin-4-one (PubChem CID 604973) has the molecular formula C12H15NO and a molecular weight of 189.26 g/mol. Its IUPAC name is 1-methyl-2-phenylpiperidin-4-one.

Molecular Properties

Compound Name1-methyl-2-phenylpiperidin-4-one
PubChem CID604973
Molecular FormulaC12H15NO
Molecular Weight189.26 g/mol
Exact Mass189.12
IUPAC Name1-methyl-2-phenylpiperidin-4-one
SMILESCN1CCC(=O)CC1c1ccccc1
InChIInChI=1S/C12H15NO/c1-13-8-7-11(14)9-12(13)10-5-3-2-4-6-10/h2-6,12H,7-9H2,1H3
InChIKeyFPQMUDFTSPDPCD-UHFFFAOYSA-N
XLogP2.02
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-phenylpiperidin-4-one?
The IUPAC name of 1-methyl-2-phenylpiperidin-4-one (CID 604973) is 1-methyl-2-phenylpiperidin-4-one.
What is the SMILES notation for 1-methyl-2-phenylpiperidin-4-one?
The canonical SMILES for 1-methyl-2-phenylpiperidin-4-one is CN1CCC(=O)CC1c1ccccc1.
What is the InChIKey of 1-methyl-2-phenylpiperidin-4-one?
The InChIKey is FPQMUDFTSPDPCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO/c1-13-8-7-11(14)9-12(13)10-5-3-2-4-6-10/h2-6,12H,7-9H2,1H3.
What are the key properties of 1-methyl-2-phenylpiperidin-4-one?
1-methyl-2-phenylpiperidin-4-one has a molecular weight of 189.26 g/mol, XLogP of 2.02, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-phenylpiperidin-4-one is sourced from PubChem (CID 604973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).