4-piperidin-3-ylcyclohexan-1-one

C11H19NO — CID 130987031

IUPAC4-piperidin-3-ylcyclohexan-1-one
SMILESO=C1CCC(C2CCCNC2)CC1
InChIInChI=1S/C11H19NO/c13-11-5-3-9(4-6-11)10-2-1-7-12-8-10/h9-10,12H,1-8H2
InChIKeyANVRVEWSZQUFEX-UHFFFAOYSA-N
MW181.28 g/mol
LogP1.75
Rot. Bonds1

About 4-piperidin-3-ylcyclohexan-1-one

4-piperidin-3-ylcyclohexan-1-one (PubChem CID 130987031) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is 4-piperidin-3-ylcyclohexan-1-one.

Molecular Properties

Compound Name4-piperidin-3-ylcyclohexan-1-one
PubChem CID130987031
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name4-piperidin-3-ylcyclohexan-1-one
SMILESO=C1CCC(C2CCCNC2)CC1
InChIInChI=1S/C11H19NO/c13-11-5-3-9(4-6-11)10-2-1-7-12-8-10/h9-10,12H,1-8H2
InChIKeyANVRVEWSZQUFEX-UHFFFAOYSA-N
XLogP1.75
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-3-cyclohexylpiperidine
CID 7016473
(3R)-3-(azetidin-3-yl)piperidine
CID 172571282
(4aR,9aR)-2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-cyclohepta[c]pyridine
CID 92720083
2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[c]pyridine;hydrochloride
CID 131638052
bis(1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline);silane
CID 158507793
(4aS,10aR)-1,2,3,4,4a,5,6,7,8,9,10,10a-dodecahydrocycloocta[c]pyridine
CID 164752917
1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline;ethane
CID 142260650
5-cyclopentylpiperidin-2-one
CID 166606710
1-methyl-4-piperidin-3-ylcyclohexan-1-ol
CID 84733509
2,3,4,4a,6,7,8,8a-octahydro-1H-isoquinolin-5-one;hydrochloride
CID 146155403
3-imidazolidin-2-ylpiperidine
CID 175384485
3-cyclohexylcyclopentan-1-one
CID 11105726

Frequently Asked Questions

What is the IUPAC name of 4-piperidin-3-ylcyclohexan-1-one?
The IUPAC name of 4-piperidin-3-ylcyclohexan-1-one (CID 130987031) is 4-piperidin-3-ylcyclohexan-1-one.
What is the SMILES notation for 4-piperidin-3-ylcyclohexan-1-one?
The canonical SMILES for 4-piperidin-3-ylcyclohexan-1-one is O=C1CCC(C2CCCNC2)CC1.
What is the InChIKey of 4-piperidin-3-ylcyclohexan-1-one?
The InChIKey is ANVRVEWSZQUFEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO/c13-11-5-3-9(4-6-11)10-2-1-7-12-8-10/h9-10,12H,1-8H2.
What are the key properties of 4-piperidin-3-ylcyclohexan-1-one?
4-piperidin-3-ylcyclohexan-1-one has a molecular weight of 181.28 g/mol, XLogP of 1.75, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-piperidin-3-ylcyclohexan-1-one is sourced from PubChem (CID 130987031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).