1-(3-piperidin-1-ium-1-ylprop-1-enyl)cyclohexan-1-ol

C14H26NO+ — CID 721237

IUPAC1-(3-piperidin-1-ium-1-ylprop-1-enyl)cyclohexan-1-ol
SMILESOC1(C=CC[NH+]2CCCCC2)CCCCC1
InChIInChI=1S/C14H25NO/c16-14(8-3-1-4-9-14)10-7-13-15-11-5-2-6-12-15/h7,10,16H,1-6,8-9,11-13H2/p+1
InChIKeyNMNASQKULQZZEQ-UHFFFAOYSA-O
MW224.37 g/mol
LogP1.31
Rot. Bonds3

About 1-(3-piperidin-1-ium-1-ylprop-1-enyl)cyclohexan-1-ol

1-(3-piperidin-1-ium-1-ylprop-1-enyl)cyclohexan-1-ol (PubChem CID 721237) has the molecular formula C14H26NO+ and a molecular weight of 224.37 g/mol. Its IUPAC name is 1-(3-piperidin-1-ium-1-ylprop-1-enyl)cyclohexan-1-ol.

Molecular Properties

Compound Name1-(3-piperidin-1-ium-1-ylprop-1-enyl)cyclohexan-1-ol
PubChem CID721237
Molecular FormulaC14H26NO+
Molecular Weight224.37 g/mol
Exact Mass224.20
IUPAC Name1-(3-piperidin-1-ium-1-ylprop-1-enyl)cyclohexan-1-ol
SMILESOC1(C=CC[NH+]2CCCCC2)CCCCC1
InChIInChI=1S/C14H25NO/c16-14(8-3-1-4-9-14)10-7-13-15-11-5-2-6-12-15/h7,10,16H,1-6,8-9,11-13H2/p+1
InChIKeyNMNASQKULQZZEQ-UHFFFAOYSA-O
XLogP1.31
TPSA24.67 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.37
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-((1E)-3-piperidylprop-1-enyl)cyclohexan-1-ol, chloride
CID 24207210
1-[(E)-3-piperidin-1-ylprop-1-enyl]cyclohexan-1-ol
CID 721240
2,3,4,5,6,7-hexahydro-1H-isoquinolin-4a-ol
CID 69227002
4-Cyclohexa-1,3-dien-1-ylpiperidin-4-ol
CID 143193857
4-(6-Methylcyclohexa-1,3-dien-1-yl)piperidin-4-ol
CID 164066883
7-butyl-2,3,4,6-tetrahydro-1H-isoquinolin-7-ol
CID 175809370
1-(3-Piperidin-1-ylprop-1-enyl)cyclohexan-1-ol
CID 721238
1-[(E)-3-piperidin-1-ium-1-ylprop-1-enyl]cyclohexan-1-ol
CID 721239
(2R,4S,5R)-4-[(E)-2-(1-hydroxycyclohexyl)ethenyl]-1,2,5-trimethylpiperidin-1-ium-4-ol
CID 7319648
(2S,4S,5R)-4-[(E)-2-(1-hydroxycyclohexyl)ethenyl]-1,2,5-trimethylpiperidin-1-ium-4-ol
CID 7319650
(2R,4R,5R)-4-[(E)-2-(1-hydroxycyclohexyl)ethenyl]-1,2,5-trimethylpiperidin-1-ium-4-ol
CID 7319652
(2S,4R,5R)-4-[(E)-2-(1-hydroxycyclohexyl)ethenyl]-1,2,5-trimethylpiperidin-1-ium-4-ol
CID 7319654

Frequently Asked Questions

What is the IUPAC name of 1-(3-piperidin-1-ium-1-ylprop-1-enyl)cyclohexan-1-ol?
The IUPAC name of 1-(3-piperidin-1-ium-1-ylprop-1-enyl)cyclohexan-1-ol (CID 721237) is 1-(3-piperidin-1-ium-1-ylprop-1-enyl)cyclohexan-1-ol.
What is the SMILES notation for 1-(3-piperidin-1-ium-1-ylprop-1-enyl)cyclohexan-1-ol?
The canonical SMILES for 1-(3-piperidin-1-ium-1-ylprop-1-enyl)cyclohexan-1-ol is OC1(C=CC[NH+]2CCCCC2)CCCCC1.
What is the InChIKey of 1-(3-piperidin-1-ium-1-ylprop-1-enyl)cyclohexan-1-ol?
The InChIKey is NMNASQKULQZZEQ-UHFFFAOYSA-O. The full InChI is InChI=1S/C14H25NO/c16-14(8-3-1-4-9-14)10-7-13-15-11-5-2-6-12-15/h7,10,16H,1-6,8-9,11-13H2/p+1.
What are the key properties of 1-(3-piperidin-1-ium-1-ylprop-1-enyl)cyclohexan-1-ol?
1-(3-piperidin-1-ium-1-ylprop-1-enyl)cyclohexan-1-ol has a molecular weight of 224.37 g/mol, XLogP of 1.31, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-piperidin-1-ium-1-ylprop-1-enyl)cyclohexan-1-ol is sourced from PubChem (CID 721237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).