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

C16H29NO2 — CID 5294085

IUPAC4-[(E)-2-(1-hydroxycyclohexyl)ethenyl]-1,2,5-trimethylpiperidin-4-ol
SMILESCC1CC(O)(/C=C/C2(O)CCCCC2)C(C)CN1C
InChIInChI=1S/C16H29NO2/c1-13-12-17(3)14(2)11-16(13,19)10-9-15(18)7-5-4-6-8-15/h9-10,13-14,18-19H,4-8,11-12H2,1-3H3/b10-9+
InChIKeyHAKHECCJGGYZQK-MDZDMXLPSA-N
MW267.41 g/mol
LogP2.33
Rot. Bonds2

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

4-[(E)-2-(1-hydroxycyclohexyl)ethenyl]-1,2,5-trimethylpiperidin-4-ol (PubChem CID 5294085) has the molecular formula C16H29NO2 and a molecular weight of 267.41 g/mol. Its IUPAC name is 4-[(E)-2-(1-hydroxycyclohexyl)ethenyl]-1,2,5-trimethylpiperidin-4-ol.

Molecular Properties

Compound Name4-[(E)-2-(1-hydroxycyclohexyl)ethenyl]-1,2,5-trimethylpiperidin-4-ol
PubChem CID5294085
Molecular FormulaC16H29NO2
Molecular Weight267.41 g/mol
Exact Mass267.22
IUPAC Name4-[(E)-2-(1-hydroxycyclohexyl)ethenyl]-1,2,5-trimethylpiperidin-4-ol
SMILESCC1CC(O)(/C=C/C2(O)CCCCC2)C(C)CN1C
InChIInChI=1S/C16H29NO2/c1-13-12-17(3)14(2)11-16(13,19)10-9-15(18)7-5-4-6-8-15/h9-10,13-14,18-19H,4-8,11-12H2,1-3H3/b10-9+
InChIKeyHAKHECCJGGYZQK-MDZDMXLPSA-N
XLogP2.33
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.41
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-(1-hydroxycyclohexyl)ethenyl]-1,2,5-trimethylpiperidin-4-ol?
The IUPAC name of 4-[(E)-2-(1-hydroxycyclohexyl)ethenyl]-1,2,5-trimethylpiperidin-4-ol (CID 5294085) is 4-[(E)-2-(1-hydroxycyclohexyl)ethenyl]-1,2,5-trimethylpiperidin-4-ol.
What is the SMILES notation for 4-[(E)-2-(1-hydroxycyclohexyl)ethenyl]-1,2,5-trimethylpiperidin-4-ol?
The canonical SMILES for 4-[(E)-2-(1-hydroxycyclohexyl)ethenyl]-1,2,5-trimethylpiperidin-4-ol is CC1CC(O)(/C=C/C2(O)CCCCC2)C(C)CN1C.
What is the InChIKey of 4-[(E)-2-(1-hydroxycyclohexyl)ethenyl]-1,2,5-trimethylpiperidin-4-ol?
The InChIKey is HAKHECCJGGYZQK-MDZDMXLPSA-N. The full InChI is InChI=1S/C16H29NO2/c1-13-12-17(3)14(2)11-16(13,19)10-9-15(18)7-5-4-6-8-15/h9-10,13-14,18-19H,4-8,11-12H2,1-3H3/b10-9+.
What are the key properties of 4-[(E)-2-(1-hydroxycyclohexyl)ethenyl]-1,2,5-trimethylpiperidin-4-ol?
4-[(E)-2-(1-hydroxycyclohexyl)ethenyl]-1,2,5-trimethylpiperidin-4-ol has a molecular weight of 267.41 g/mol, XLogP of 2.33, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-(1-hydroxycyclohexyl)ethenyl]-1,2,5-trimethylpiperidin-4-ol is sourced from PubChem (CID 5294085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).