2-methyl-3-piperidin-1-ylcyclohex-2-en-1-one

C12H19NO — CID 164763419

IUPAC2-methyl-3-piperidin-1-ylcyclohex-2-en-1-one
SMILESCC1=C(N2CCCCC2)CCCC1=O
InChIInChI=1S/C12H19NO/c1-10-11(6-5-7-12(10)14)13-8-3-2-4-9-13/h2-9H2,1H3
InChIKeyQAHDSNCLADWWRE-UHFFFAOYSA-N
MW193.29 g/mol
LogP2.50
Rot. Bonds1

About 2-methyl-3-piperidin-1-ylcyclohex-2-en-1-one

2-methyl-3-piperidin-1-ylcyclohex-2-en-1-one (PubChem CID 164763419) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is 2-methyl-3-piperidin-1-ylcyclohex-2-en-1-one.

Molecular Properties

Compound Name2-methyl-3-piperidin-1-ylcyclohex-2-en-1-one
PubChem CID164763419
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name2-methyl-3-piperidin-1-ylcyclohex-2-en-1-one
SMILESCC1=C(N2CCCCC2)CCCC1=O
InChIInChI=1S/C12H19NO/c1-10-11(6-5-7-12(10)14)13-8-3-2-4-9-13/h2-9H2,1H3
InChIKeyQAHDSNCLADWWRE-UHFFFAOYSA-N
XLogP2.50
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-piperidin-1-ylcyclohex-2-en-1-one?
The IUPAC name of 2-methyl-3-piperidin-1-ylcyclohex-2-en-1-one (CID 164763419) is 2-methyl-3-piperidin-1-ylcyclohex-2-en-1-one.
What is the SMILES notation for 2-methyl-3-piperidin-1-ylcyclohex-2-en-1-one?
The canonical SMILES for 2-methyl-3-piperidin-1-ylcyclohex-2-en-1-one is CC1=C(N2CCCCC2)CCCC1=O.
What is the InChIKey of 2-methyl-3-piperidin-1-ylcyclohex-2-en-1-one?
The InChIKey is QAHDSNCLADWWRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO/c1-10-11(6-5-7-12(10)14)13-8-3-2-4-9-13/h2-9H2,1H3.
What are the key properties of 2-methyl-3-piperidin-1-ylcyclohex-2-en-1-one?
2-methyl-3-piperidin-1-ylcyclohex-2-en-1-one has a molecular weight of 193.29 g/mol, XLogP of 2.50, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-piperidin-1-ylcyclohex-2-en-1-one is sourced from PubChem (CID 164763419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).