2-(1-methylpiperidin-1-ium-1-yl)cyclohex-3-en-1-ol

C12H22NO+ — CID 23261499

IUPAC2-(1-methylpiperidin-1-ium-1-yl)cyclohex-3-en-1-ol
SMILESC[N+]1(C2C=CCCC2O)CCCCC1
InChIInChI=1S/C12H22NO/c1-13(9-5-2-6-10-13)11-7-3-4-8-12(11)14/h3,7,11-12,14H,2,4-6,8-10H2,1H3/q+1
InChIKeyHDDTZMAHCLVOCR-UHFFFAOYSA-N
MW196.31 g/mol
LogP1.70
Rot. Bonds1

About 2-(1-methylpiperidin-1-ium-1-yl)cyclohex-3-en-1-ol

2-(1-methylpiperidin-1-ium-1-yl)cyclohex-3-en-1-ol (PubChem CID 23261499) has the molecular formula C12H22NO+ and a molecular weight of 196.31 g/mol. Its IUPAC name is 2-(1-methylpiperidin-1-ium-1-yl)cyclohex-3-en-1-ol.

Molecular Properties

Compound Name2-(1-methylpiperidin-1-ium-1-yl)cyclohex-3-en-1-ol
PubChem CID23261499
Molecular FormulaC12H22NO+
Molecular Weight196.31 g/mol
Exact Mass196.17
IUPAC Name2-(1-methylpiperidin-1-ium-1-yl)cyclohex-3-en-1-ol
SMILESC[N+]1(C2C=CCCC2O)CCCCC1
InChIInChI=1S/C12H22NO/c1-13(9-5-2-6-10-13)11-7-3-4-8-12(11)14/h3,7,11-12,14H,2,4-6,8-10H2,1H3/q+1
InChIKeyHDDTZMAHCLVOCR-UHFFFAOYSA-N
XLogP1.70
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.31
LogP ≤ 51.70
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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Frequently Asked Questions

What is the IUPAC name of 2-(1-methylpiperidin-1-ium-1-yl)cyclohex-3-en-1-ol?
The IUPAC name of 2-(1-methylpiperidin-1-ium-1-yl)cyclohex-3-en-1-ol (CID 23261499) is 2-(1-methylpiperidin-1-ium-1-yl)cyclohex-3-en-1-ol.
What is the SMILES notation for 2-(1-methylpiperidin-1-ium-1-yl)cyclohex-3-en-1-ol?
The canonical SMILES for 2-(1-methylpiperidin-1-ium-1-yl)cyclohex-3-en-1-ol is C[N+]1(C2C=CCCC2O)CCCCC1.
What is the InChIKey of 2-(1-methylpiperidin-1-ium-1-yl)cyclohex-3-en-1-ol?
The InChIKey is HDDTZMAHCLVOCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22NO/c1-13(9-5-2-6-10-13)11-7-3-4-8-12(11)14/h3,7,11-12,14H,2,4-6,8-10H2,1H3/q+1.
What are the key properties of 2-(1-methylpiperidin-1-ium-1-yl)cyclohex-3-en-1-ol?
2-(1-methylpiperidin-1-ium-1-yl)cyclohex-3-en-1-ol has a molecular weight of 196.31 g/mol, XLogP of 1.70, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylpiperidin-1-ium-1-yl)cyclohex-3-en-1-ol is sourced from PubChem (CID 23261499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).