[(1R)-cyclohex-3-en-1-yl]-(4-hydroxypiperidin-1-yl)methanone

C12H19NO2 — CID 129364655

IUPAC[(1R)-cyclohex-3-en-1-yl]-(4-hydroxypiperidin-1-yl)methanone
SMILESO=C([C@H]1CC=CCC1)N1CCC(O)CC1
InChIInChI=1S/C12H19NO2/c14-11-6-8-13(9-7-11)12(15)10-4-2-1-3-5-10/h1-2,10-11,14H,3-9H2/t10-/m0/s1
InChIKeyLVVUGIXKPYQJAZ-JTQLQIEISA-N
MW209.29 g/mol
LogP1.33
Rot. Bonds1

About [(1R)-cyclohex-3-en-1-yl]-(4-hydroxypiperidin-1-yl)methanone

[(1R)-cyclohex-3-en-1-yl]-(4-hydroxypiperidin-1-yl)methanone (PubChem CID 129364655) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is [(1R)-cyclohex-3-en-1-yl]-(4-hydroxypiperidin-1-yl)methanone.

Molecular Properties

Compound Name[(1R)-cyclohex-3-en-1-yl]-(4-hydroxypiperidin-1-yl)methanone
PubChem CID129364655
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Name[(1R)-cyclohex-3-en-1-yl]-(4-hydroxypiperidin-1-yl)methanone
SMILESO=C([C@H]1CC=CCC1)N1CCC(O)CC1
InChIInChI=1S/C12H19NO2/c14-11-6-8-13(9-7-11)12(15)10-4-2-1-3-5-10/h1-2,10-11,14H,3-9H2/t10-/m0/s1
InChIKeyLVVUGIXKPYQJAZ-JTQLQIEISA-N
XLogP1.33
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-(3-Cyclohexen-1-ylcarbonyl)piperidine
CID 162129
1-(3-Cyclohexen-1-ylmethyl)-4-piperidinol
CID 2846138
(4aS,8aR)-2-(3-hydroxypropyl)-1,4,4a,5,8,8a-hexahydroisoquinolin-3-one
CID 134918072
Cyclohex-3-en-1-yl(4-hydroxy-4-(trifluoromethyl)piperidin-1-yl)methanone
CID 109884061
Cyclohex-3-en-1-yl-[4-(2,2,2-trifluoro-1-hydroxyethyl)piperidin-1-yl]methanone
CID 112329087
2-Cyclopent-2-en-1-yl-1-[4-(2,2,2-trifluoro-1-hydroxyethyl)piperidin-1-yl]ethanone
CID 112329150
[(1S)-cyclohex-3-en-1-yl]-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]methanone
CID 129372378
[(1R)-cyclohex-3-en-1-yl]-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]methanone
CID 129372379
(3-Cyclohexen-1-yl)[4-(2-cyclopropyl-2-hydroxyethyl)-1-piperazinyl]methanone
CID 71783153
N-(2-hydroxyethyl)-N-methylcyclohex-3-ene-1-carboxamide
CID 60740028
N,N-bis(2-hydroxyethyl)cyclohex-3-ene-1-carboxamide
CID 61234886
1-[3-(4-Hydroxypiperidin-1-yl)propyl]cyclohexa-2,4-diene-1-carboxamide
CID 70509476

Frequently Asked Questions

What is the IUPAC name of [(1R)-cyclohex-3-en-1-yl]-(4-hydroxypiperidin-1-yl)methanone?
The IUPAC name of [(1R)-cyclohex-3-en-1-yl]-(4-hydroxypiperidin-1-yl)methanone (CID 129364655) is [(1R)-cyclohex-3-en-1-yl]-(4-hydroxypiperidin-1-yl)methanone.
What is the SMILES notation for [(1R)-cyclohex-3-en-1-yl]-(4-hydroxypiperidin-1-yl)methanone?
The canonical SMILES for [(1R)-cyclohex-3-en-1-yl]-(4-hydroxypiperidin-1-yl)methanone is O=C([C@H]1CC=CCC1)N1CCC(O)CC1.
What is the InChIKey of [(1R)-cyclohex-3-en-1-yl]-(4-hydroxypiperidin-1-yl)methanone?
The InChIKey is LVVUGIXKPYQJAZ-JTQLQIEISA-N. The full InChI is InChI=1S/C12H19NO2/c14-11-6-8-13(9-7-11)12(15)10-4-2-1-3-5-10/h1-2,10-11,14H,3-9H2/t10-/m0/s1.
What are the key properties of [(1R)-cyclohex-3-en-1-yl]-(4-hydroxypiperidin-1-yl)methanone?
[(1R)-cyclohex-3-en-1-yl]-(4-hydroxypiperidin-1-yl)methanone has a molecular weight of 209.29 g/mol, XLogP of 1.33, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-cyclohex-3-en-1-yl]-(4-hydroxypiperidin-1-yl)methanone is sourced from PubChem (CID 129364655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).