4-[(E)-2-(1-hydroxycyclohexyl)ethenyl]-1,1,2,5-tetramethylpiperidin-1-ium-4-ol

C17H32NO2+ — CID 5294148

IUPAC4-[(E)-2-(1-hydroxycyclohexyl)ethenyl]-1,1,2,5-tetramethylpiperidin-1-ium-4-ol
SMILESCC1C[N+](C)(C)C(C)CC1(O)/C=C/C1(O)CCCCC1
InChIInChI=1S/C17H32NO2/c1-14-13-18(3,4)15(2)12-17(14,20)11-10-16(19)8-6-5-7-9-16/h10-11,14-15,19-20H,5-9,12-13H2,1-4H3/q+1/b11-10+
InChIKeySEWNTSZJYCRBLN-ZHACJKMWSA-N
MW282.45 g/mol
LogP2.47
Rot. Bonds2

About 4-[(E)-2-(1-hydroxycyclohexyl)ethenyl]-1,1,2,5-tetramethylpiperidin-1-ium-4-ol

4-[(E)-2-(1-hydroxycyclohexyl)ethenyl]-1,1,2,5-tetramethylpiperidin-1-ium-4-ol (PubChem CID 5294148) has the molecular formula C17H32NO2+ and a molecular weight of 282.45 g/mol. Its IUPAC name is 4-[(E)-2-(1-hydroxycyclohexyl)ethenyl]-1,1,2,5-tetramethylpiperidin-1-ium-4-ol.

Molecular Properties

Compound Name4-[(E)-2-(1-hydroxycyclohexyl)ethenyl]-1,1,2,5-tetramethylpiperidin-1-ium-4-ol
PubChem CID5294148
Molecular FormulaC17H32NO2+
Molecular Weight282.45 g/mol
Exact Mass282.24
IUPAC Name4-[(E)-2-(1-hydroxycyclohexyl)ethenyl]-1,1,2,5-tetramethylpiperidin-1-ium-4-ol
SMILESCC1C[N+](C)(C)C(C)CC1(O)/C=C/C1(O)CCCCC1
InChIInChI=1S/C17H32NO2/c1-14-13-18(3,4)15(2)12-17(14,20)11-10-16(19)8-6-5-7-9-16/h10-11,14-15,19-20H,5-9,12-13H2,1-4H3/q+1/b11-10+
InChIKeySEWNTSZJYCRBLN-ZHACJKMWSA-N
XLogP2.47
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.45
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 4-[(E)-2-(1-hydroxycyclohexyl)ethenyl]-1,1,2,5-tetramethylpiperidin-1-ium-4-ol?
The IUPAC name of 4-[(E)-2-(1-hydroxycyclohexyl)ethenyl]-1,1,2,5-tetramethylpiperidin-1-ium-4-ol (CID 5294148) is 4-[(E)-2-(1-hydroxycyclohexyl)ethenyl]-1,1,2,5-tetramethylpiperidin-1-ium-4-ol.
What is the SMILES notation for 4-[(E)-2-(1-hydroxycyclohexyl)ethenyl]-1,1,2,5-tetramethylpiperidin-1-ium-4-ol?
The canonical SMILES for 4-[(E)-2-(1-hydroxycyclohexyl)ethenyl]-1,1,2,5-tetramethylpiperidin-1-ium-4-ol is CC1C[N+](C)(C)C(C)CC1(O)/C=C/C1(O)CCCCC1.
What is the InChIKey of 4-[(E)-2-(1-hydroxycyclohexyl)ethenyl]-1,1,2,5-tetramethylpiperidin-1-ium-4-ol?
The InChIKey is SEWNTSZJYCRBLN-ZHACJKMWSA-N. The full InChI is InChI=1S/C17H32NO2/c1-14-13-18(3,4)15(2)12-17(14,20)11-10-16(19)8-6-5-7-9-16/h10-11,14-15,19-20H,5-9,12-13H2,1-4H3/q+1/b11-10+.
What are the key properties of 4-[(E)-2-(1-hydroxycyclohexyl)ethenyl]-1,1,2,5-tetramethylpiperidin-1-ium-4-ol?
4-[(E)-2-(1-hydroxycyclohexyl)ethenyl]-1,1,2,5-tetramethylpiperidin-1-ium-4-ol has a molecular weight of 282.45 g/mol, XLogP of 2.47, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-(1-hydroxycyclohexyl)ethenyl]-1,1,2,5-tetramethylpiperidin-1-ium-4-ol is sourced from PubChem (CID 5294148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).