2-[5-(1-methylpiperidin-1-ium-1-yl)cyclohex-3-en-1-yl]ethanol

C14H26NO+ — CID 123856754

IUPAC2-[5-(1-methylpiperidin-1-ium-1-yl)cyclohex-3-en-1-yl]ethanol
SMILESC[N+]1(C2C=CCC(CCO)C2)CCCCC1
InChIInChI=1S/C14H26NO/c1-15(9-3-2-4-10-15)14-7-5-6-13(12-14)8-11-16/h5,7,13-14,16H,2-4,6,8-12H2,1H3/q+1
InChIKeyUDHIAJFLBPWKDD-UHFFFAOYSA-N
MW224.37 g/mol
LogP2.33
Rot. Bonds3

About 2-[5-(1-methylpiperidin-1-ium-1-yl)cyclohex-3-en-1-yl]ethanol

2-[5-(1-methylpiperidin-1-ium-1-yl)cyclohex-3-en-1-yl]ethanol (PubChem CID 123856754) has the molecular formula C14H26NO+ and a molecular weight of 224.37 g/mol. Its IUPAC name is 2-[5-(1-methylpiperidin-1-ium-1-yl)cyclohex-3-en-1-yl]ethanol.

Molecular Properties

Compound Name2-[5-(1-methylpiperidin-1-ium-1-yl)cyclohex-3-en-1-yl]ethanol
PubChem CID123856754
Molecular FormulaC14H26NO+
Molecular Weight224.37 g/mol
Exact Mass224.20
IUPAC Name2-[5-(1-methylpiperidin-1-ium-1-yl)cyclohex-3-en-1-yl]ethanol
SMILESC[N+]1(C2C=CCC(CCO)C2)CCCCC1
InChIInChI=1S/C14H26NO/c1-15(9-3-2-4-10-15)14-7-5-6-13(12-14)8-11-16/h5,7,13-14,16H,2-4,6,8-12H2,1H3/q+1
InChIKeyUDHIAJFLBPWKDD-UHFFFAOYSA-N
XLogP2.33
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.37
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

2-(1-Cyclohex-2-en-1-ylpiperidin-3-yl)ethanol
CID 56789997
(1-Cyclohex-2-en-1-yl-3-fluoropiperidin-3-yl)methanol
CID 126770405
[(3S)-1-[(1S)-cyclohex-2-en-1-yl]-3-fluoropiperidin-3-yl]methanol
CID 124291655
[(3R)-1-[(1R)-cyclohex-2-en-1-yl]-3-fluoropiperidin-3-yl]methanol
CID 124291656
[(3S)-1-[(1R)-cyclohex-2-en-1-yl]-3-fluoropiperidin-3-yl]methanol
CID 124291657
[(3R)-1-[(1S)-cyclohex-2-en-1-yl]-3-fluoropiperidin-3-yl]methanol
CID 124291658
2-(1,3a,4,5,5a,6,7,9a-Octahydropyrrolo[1,2-a]quinolin-5-yl)ethanol
CID 20244243
2-[1-[(E)-4-methylpent-2-enyl]piperidin-4-yl]ethanol
CID 21027121
actinium;2-[1-[(E)-4-methylpent-2-enyl]piperidin-4-yl]ethanol
CID 21027122
[4-(Diethylamino)cyclohex-2-en-1-yl]methanol
CID 68199978
[6-(4-Methylpiperazin-1-yl)cyclohex-3-en-1-yl]methanol
CID 68213096
[1-(1-Ethylcyclohexa-2,4-dien-1-yl)piperidin-2-yl]methanol
CID 70044331

Frequently Asked Questions

What is the IUPAC name of 2-[5-(1-methylpiperidin-1-ium-1-yl)cyclohex-3-en-1-yl]ethanol?
The IUPAC name of 2-[5-(1-methylpiperidin-1-ium-1-yl)cyclohex-3-en-1-yl]ethanol (CID 123856754) is 2-[5-(1-methylpiperidin-1-ium-1-yl)cyclohex-3-en-1-yl]ethanol.
What is the SMILES notation for 2-[5-(1-methylpiperidin-1-ium-1-yl)cyclohex-3-en-1-yl]ethanol?
The canonical SMILES for 2-[5-(1-methylpiperidin-1-ium-1-yl)cyclohex-3-en-1-yl]ethanol is C[N+]1(C2C=CCC(CCO)C2)CCCCC1.
What is the InChIKey of 2-[5-(1-methylpiperidin-1-ium-1-yl)cyclohex-3-en-1-yl]ethanol?
The InChIKey is UDHIAJFLBPWKDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26NO/c1-15(9-3-2-4-10-15)14-7-5-6-13(12-14)8-11-16/h5,7,13-14,16H,2-4,6,8-12H2,1H3/q+1.
What are the key properties of 2-[5-(1-methylpiperidin-1-ium-1-yl)cyclohex-3-en-1-yl]ethanol?
2-[5-(1-methylpiperidin-1-ium-1-yl)cyclohex-3-en-1-yl]ethanol has a molecular weight of 224.37 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(1-methylpiperidin-1-ium-1-yl)cyclohex-3-en-1-yl]ethanol is sourced from PubChem (CID 123856754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).