3-methyl-1-(2-phenylethyl)piperidin-4-one

C14H19NO — CID 580922

IUPAC3-methyl-1-(2-phenylethyl)piperidin-4-one
SMILESCC1CN(CCc2ccccc2)CCC1=O
InChIInChI=1S/C14H19NO/c1-12-11-15(10-8-14(12)16)9-7-13-5-3-2-4-6-13/h2-6,12H,7-11H2,1H3
InChIKeyFYNKVRCSKRJSSF-UHFFFAOYSA-N
MW217.31 g/mol
LogP2.14
Rot. Bonds3

About 3-methyl-1-(2-phenylethyl)piperidin-4-one

3-methyl-1-(2-phenylethyl)piperidin-4-one (PubChem CID 580922) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is 3-methyl-1-(2-phenylethyl)piperidin-4-one.

Molecular Properties

Compound Name3-methyl-1-(2-phenylethyl)piperidin-4-one
PubChem CID580922
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name3-methyl-1-(2-phenylethyl)piperidin-4-one
SMILESCC1CN(CCc2ccccc2)CCC1=O
InChIInChI=1S/C14H19NO/c1-12-11-15(10-8-14(12)16)9-7-13-5-3-2-4-6-13/h2-6,12H,7-11H2,1H3
InChIKeyFYNKVRCSKRJSSF-UHFFFAOYSA-N
XLogP2.14
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(2-phenylethyl)piperidin-4-one?
The IUPAC name of 3-methyl-1-(2-phenylethyl)piperidin-4-one (CID 580922) is 3-methyl-1-(2-phenylethyl)piperidin-4-one.
What is the SMILES notation for 3-methyl-1-(2-phenylethyl)piperidin-4-one?
The canonical SMILES for 3-methyl-1-(2-phenylethyl)piperidin-4-one is CC1CN(CCc2ccccc2)CCC1=O.
What is the InChIKey of 3-methyl-1-(2-phenylethyl)piperidin-4-one?
The InChIKey is FYNKVRCSKRJSSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO/c1-12-11-15(10-8-14(12)16)9-7-13-5-3-2-4-6-13/h2-6,12H,7-11H2,1H3.
What are the key properties of 3-methyl-1-(2-phenylethyl)piperidin-4-one?
3-methyl-1-(2-phenylethyl)piperidin-4-one has a molecular weight of 217.31 g/mol, XLogP of 2.14, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(2-phenylethyl)piperidin-4-one is sourced from PubChem (CID 580922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).