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

C11H17NO — CID 142092058

IUPAC3-piperidin-3-ylcyclohex-2-en-1-one
SMILESO=C1C=C(C2CCCNC2)CCC1
InChIInChI=1S/C11H17NO/c13-11-5-1-3-9(7-11)10-4-2-6-12-8-10/h7,10,12H,1-6,8H2
InChIKeyMGKNCOAZDWJCLC-UHFFFAOYSA-N
MW179.26 g/mol
LogP1.67
Rot. Bonds1

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

3-piperidin-3-ylcyclohex-2-en-1-one (PubChem CID 142092058) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is 3-piperidin-3-ylcyclohex-2-en-1-one.

Molecular Properties

Compound Name3-piperidin-3-ylcyclohex-2-en-1-one
PubChem CID142092058
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name3-piperidin-3-ylcyclohex-2-en-1-one
SMILESO=C1C=C(C2CCCNC2)CCC1
InChIInChI=1S/C11H17NO/c13-11-5-1-3-9(7-11)10-4-2-6-12-8-10/h7,10,12H,1-6,8H2
InChIKeyMGKNCOAZDWJCLC-UHFFFAOYSA-N
XLogP1.67
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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(4-Fluorocyclohexen-1-yl)-pyrrolidin-3-ylmethanone
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2,3,4,4a,5,6-Hexahydroquinolin-7(1H)-one
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Hexahydro-7-methyl-6-isoquinolone
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CID 3021247
3-(1-Propyl-piperidin-3-yl)-cyclohex-2-enone
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1-(6-Azabicyclo[3.2.2]non-3-en-4-yl)propan-1-one
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hexahydro-3-(3-oxocyclohexen-1-yl)-2H-azepin-2-one
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Frequently Asked Questions

What is the IUPAC name of 3-piperidin-3-ylcyclohex-2-en-1-one?
The IUPAC name of 3-piperidin-3-ylcyclohex-2-en-1-one (CID 142092058) is 3-piperidin-3-ylcyclohex-2-en-1-one.
What is the SMILES notation for 3-piperidin-3-ylcyclohex-2-en-1-one?
The canonical SMILES for 3-piperidin-3-ylcyclohex-2-en-1-one is O=C1C=C(C2CCCNC2)CCC1.
What is the InChIKey of 3-piperidin-3-ylcyclohex-2-en-1-one?
The InChIKey is MGKNCOAZDWJCLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO/c13-11-5-1-3-9(7-11)10-4-2-6-12-8-10/h7,10,12H,1-6,8H2.
What are the key properties of 3-piperidin-3-ylcyclohex-2-en-1-one?
3-piperidin-3-ylcyclohex-2-en-1-one has a molecular weight of 179.26 g/mol, XLogP of 1.67, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-piperidin-3-ylcyclohex-2-en-1-one is sourced from PubChem (CID 142092058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).