1-cyclohexyl-3-methylpiperidin-4-one

C12H21NO — CID 592273

IUPAC1-cyclohexyl-3-methylpiperidin-4-one
SMILESCC1CN(C2CCCCC2)CCC1=O
InChIInChI=1S/C12H21NO/c1-10-9-13(8-7-12(10)14)11-5-3-2-4-6-11/h10-11H,2-9H2,1H3
InChIKeySHFOBFYCUAWAOO-UHFFFAOYSA-N
MW195.31 g/mol
LogP2.23
Rot. Bonds1

About 1-cyclohexyl-3-methylpiperidin-4-one

1-cyclohexyl-3-methylpiperidin-4-one (PubChem CID 592273) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is 1-cyclohexyl-3-methylpiperidin-4-one.

Molecular Properties

Compound Name1-cyclohexyl-3-methylpiperidin-4-one
PubChem CID592273
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Name1-cyclohexyl-3-methylpiperidin-4-one
SMILESCC1CN(C2CCCCC2)CCC1=O
InChIInChI=1S/C12H21NO/c1-10-9-13(8-7-12(10)14)11-5-3-2-4-6-11/h10-11H,2-9H2,1H3
InChIKeySHFOBFYCUAWAOO-UHFFFAOYSA-N
XLogP2.23
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-methylpiperidin-4-one?
The IUPAC name of 1-cyclohexyl-3-methylpiperidin-4-one (CID 592273) is 1-cyclohexyl-3-methylpiperidin-4-one.
What is the SMILES notation for 1-cyclohexyl-3-methylpiperidin-4-one?
The canonical SMILES for 1-cyclohexyl-3-methylpiperidin-4-one is CC1CN(C2CCCCC2)CCC1=O.
What is the InChIKey of 1-cyclohexyl-3-methylpiperidin-4-one?
The InChIKey is SHFOBFYCUAWAOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO/c1-10-9-13(8-7-12(10)14)11-5-3-2-4-6-11/h10-11H,2-9H2,1H3.
What are the key properties of 1-cyclohexyl-3-methylpiperidin-4-one?
1-cyclohexyl-3-methylpiperidin-4-one has a molecular weight of 195.31 g/mol, XLogP of 2.23, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-methylpiperidin-4-one is sourced from PubChem (CID 592273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).