1-cyclohexyl-4-piperidin-1-ylbut-2-en-1-ol

C15H27NO — CID 3771763

IUPAC1-cyclohexyl-4-piperidin-1-ylbut-2-en-1-ol
SMILESOC(C=CCN1CCCCC1)C1CCCCC1
InChIInChI=1S/C15H27NO/c17-15(14-8-3-1-4-9-14)10-7-13-16-11-5-2-6-12-16/h7,10,14-15,17H,1-6,8-9,11-13H2
InChIKeyIRARXCFWFYPRKI-UHFFFAOYSA-N
MW237.39 g/mol
LogP2.97
Rot. Bonds4

About 1-cyclohexyl-4-piperidin-1-ylbut-2-en-1-ol

1-cyclohexyl-4-piperidin-1-ylbut-2-en-1-ol (PubChem CID 3771763) has the molecular formula C15H27NO and a molecular weight of 237.39 g/mol. Its IUPAC name is 1-cyclohexyl-4-piperidin-1-ylbut-2-en-1-ol.

Molecular Properties

Compound Name1-cyclohexyl-4-piperidin-1-ylbut-2-en-1-ol
PubChem CID3771763
Molecular FormulaC15H27NO
Molecular Weight237.39 g/mol
Exact Mass237.21
IUPAC Name1-cyclohexyl-4-piperidin-1-ylbut-2-en-1-ol
SMILESOC(C=CCN1CCCCC1)C1CCCCC1
InChIInChI=1S/C15H27NO/c17-15(14-8-3-1-4-9-14)10-7-13-16-11-5-2-6-12-16/h7,10,14-15,17H,1-6,8-9,11-13H2
InChIKeyIRARXCFWFYPRKI-UHFFFAOYSA-N
XLogP2.97
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 52.97
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-[(E)-3-piperidin-1-ylprop-1-enyl]cyclohexan-1-ol
CID 721240
4-[2-(Dimethylamino)-1-(1-methylcyclohexyl)ethyl]cyclohex-2-en-1-ol
CID 68331455
4-[2-[Ethyl(methyl)amino]ethyl]cyclohex-2-en-1-ol
CID 90916937
3-[4-(Cyclohexa-1,3-dien-1-ylmethyl)piperidin-1-yl]-1-(cyclohexen-1-yl)propan-1-ol
CID 142000888
1-(3-Piperidin-1-ylprop-1-enyl)cyclohexan-1-ol
CID 721238
(E)-1-cyclohexyl-4-piperidin-1-ylbut-2-en-1-ol
CID 5918546
2-methyl-3,4,6,7,8,8a-hexahydro-1H-isoquinolin-6-ol
CID 12228902
2-(1-Cyclohex-2-en-1-ylpiperidin-2-yl)cyclohexan-1-ol
CID 114620909
1-(2-Methyl-2-azabicyclo[2.2.2]oct-5-en-3-yl)ethanol
CID 130124446
1-(6-Methyl-6-azabicyclo[3.2.2]non-3-en-4-yl)ethanol
CID 130152430

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-4-piperidin-1-ylbut-2-en-1-ol?
The IUPAC name of 1-cyclohexyl-4-piperidin-1-ylbut-2-en-1-ol (CID 3771763) is 1-cyclohexyl-4-piperidin-1-ylbut-2-en-1-ol.
What is the SMILES notation for 1-cyclohexyl-4-piperidin-1-ylbut-2-en-1-ol?
The canonical SMILES for 1-cyclohexyl-4-piperidin-1-ylbut-2-en-1-ol is OC(C=CCN1CCCCC1)C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-4-piperidin-1-ylbut-2-en-1-ol?
The InChIKey is IRARXCFWFYPRKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO/c17-15(14-8-3-1-4-9-14)10-7-13-16-11-5-2-6-12-16/h7,10,14-15,17H,1-6,8-9,11-13H2.
What are the key properties of 1-cyclohexyl-4-piperidin-1-ylbut-2-en-1-ol?
1-cyclohexyl-4-piperidin-1-ylbut-2-en-1-ol has a molecular weight of 237.39 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-4-piperidin-1-ylbut-2-en-1-ol is sourced from PubChem (CID 3771763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).