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

C14H26ClNO — CID 71835639

IUPAC1-(3-piperidin-1-ium-1-ylprop-1-enyl)cyclohexan-1-ol chloride
SMILESOC1(C=CC[NH+]2CCCCC2)CCCCC1.[Cl-]
InChIInChI=1S/C14H25NO.ClH/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;1H
InChIKeyRJFVPSIMAGWXAW-UHFFFAOYSA-N
MW259.82 g/mol
LogP-1.69
Rot. Bonds3

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

1-(3-piperidin-1-ium-1-ylprop-1-enyl)cyclohexan-1-ol chloride (PubChem CID 71835639) has the molecular formula C14H26ClNO and a molecular weight of 259.82 g/mol. Its IUPAC name is 1-(3-piperidin-1-ium-1-ylprop-1-enyl)cyclohexan-1-ol chloride.

Molecular Properties

Compound Name1-(3-piperidin-1-ium-1-ylprop-1-enyl)cyclohexan-1-ol chloride
PubChem CID71835639
Molecular FormulaC14H26ClNO
Molecular Weight259.82 g/mol
Exact Mass259.17
IUPAC Name1-(3-piperidin-1-ium-1-ylprop-1-enyl)cyclohexan-1-ol chloride
SMILESOC1(C=CC[NH+]2CCCCC2)CCCCC1.[Cl-]
InChIInChI=1S/C14H25NO.ClH/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;1H
InChIKeyRJFVPSIMAGWXAW-UHFFFAOYSA-N
XLogP-1.69
TPSA24.67 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.82
LogP ≤ 5-1.69
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
1-(3-Piperidin-1-ium-1-ylprop-1-enyl)cyclohexan-1-ol
CID 721237
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
4-(Cyclohexen-1-yl)piperidin-4-ol
CID 106650882

Frequently Asked Questions

What is the IUPAC name of 1-(3-piperidin-1-ium-1-ylprop-1-enyl)cyclohexan-1-ol chloride?
The IUPAC name of 1-(3-piperidin-1-ium-1-ylprop-1-enyl)cyclohexan-1-ol chloride (CID 71835639) is 1-(3-piperidin-1-ium-1-ylprop-1-enyl)cyclohexan-1-ol chloride.
What is the SMILES notation for 1-(3-piperidin-1-ium-1-ylprop-1-enyl)cyclohexan-1-ol chloride?
The canonical SMILES for 1-(3-piperidin-1-ium-1-ylprop-1-enyl)cyclohexan-1-ol chloride is OC1(C=CC[NH+]2CCCCC2)CCCCC1.[Cl-].
What is the InChIKey of 1-(3-piperidin-1-ium-1-ylprop-1-enyl)cyclohexan-1-ol chloride?
The InChIKey is RJFVPSIMAGWXAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO.ClH/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;1H.
What are the key properties of 1-(3-piperidin-1-ium-1-ylprop-1-enyl)cyclohexan-1-ol chloride?
1-(3-piperidin-1-ium-1-ylprop-1-enyl)cyclohexan-1-ol chloride has a molecular weight of 259.82 g/mol, XLogP of -1.69, 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 chloride is sourced from PubChem (CID 71835639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).