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

C16H29NO2 — CID 4916504

IUPAC4-[2-(1-hydroxycyclohexyl)ethenyl]-1,2,5-trimethylpiperidin-4-ol
SMILESCC1CC(O)(C=CC2(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
InChIKeyHAKHECCJGGYZQK-UHFFFAOYSA-N
MW267.41 g/mol
LogP2.33
Rot. Bonds2

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

4-[2-(1-hydroxycyclohexyl)ethenyl]-1,2,5-trimethylpiperidin-4-ol (PubChem CID 4916504) has the molecular formula C16H29NO2 and a molecular weight of 267.41 g/mol. Its IUPAC name is 4-[2-(1-hydroxycyclohexyl)ethenyl]-1,2,5-trimethylpiperidin-4-ol.

Molecular Properties

Compound Name4-[2-(1-hydroxycyclohexyl)ethenyl]-1,2,5-trimethylpiperidin-4-ol
PubChem CID4916504
Molecular FormulaC16H29NO2
Molecular Weight267.41 g/mol
Exact Mass267.22
IUPAC Name4-[2-(1-hydroxycyclohexyl)ethenyl]-1,2,5-trimethylpiperidin-4-ol
SMILESCC1CC(O)(C=CC2(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
InChIKeyHAKHECCJGGYZQK-UHFFFAOYSA-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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Related Compounds

4-[(1E)-2-(hydroxycyclohexyl)vinyl]-1,2,5-trimethylpiperidin-4-ol
CID 5294085
1-[(E)-3-piperidin-1-ylprop-1-enyl]cyclohexan-1-ol
CID 721240
1-(3-Piperidin-1-ylprop-1-enyl)cyclohexan-1-ol
CID 721238
4-[2-(1-Hydroxycyclohexyl)ethenyl]-1,1,2,5-tetramethylpiperidin-1-ium-4-ol
CID 4917178
4-hydroxy-4-[(E)-2-(1-hydroxycyclohexyl)ethenyl]-1,1,2,5-tetramethylpiperidinium
CID 5294148
(2S,4R,5R)-4-[(E)-2-(1-hydroxycyclohexyl)ethenyl]-1,1,2,5-tetramethylpiperidin-1-ium-4-ol
CID 7305159
(2R,4S,5R)-4-[(E)-2-(1-hydroxycyclohexyl)ethenyl]-1,2,5-trimethylpiperidin-1-ium-4-ol
CID 7319648
(2R,4S,5R)-4-[(E)-2-(1-hydroxycyclohexyl)ethenyl]-1,2,5-trimethylpiperidin-4-ol
CID 7319649
(2S,4S,5R)-4-[(E)-2-(1-hydroxycyclohexyl)ethenyl]-1,2,5-trimethylpiperidin-1-ium-4-ol
CID 7319650
(2S,4S,5R)-4-[(E)-2-(1-hydroxycyclohexyl)ethenyl]-1,2,5-trimethylpiperidin-4-ol
CID 7319651
(2R,4R,5R)-4-[(E)-2-(1-hydroxycyclohexyl)ethenyl]-1,2,5-trimethylpiperidin-1-ium-4-ol
CID 7319652
(2R,4R,5R)-4-[(E)-2-(1-hydroxycyclohexyl)ethenyl]-1,2,5-trimethylpiperidin-4-ol
CID 7319653

Frequently Asked Questions

What is the IUPAC name of 4-[2-(1-hydroxycyclohexyl)ethenyl]-1,2,5-trimethylpiperidin-4-ol?
The IUPAC name of 4-[2-(1-hydroxycyclohexyl)ethenyl]-1,2,5-trimethylpiperidin-4-ol (CID 4916504) is 4-[2-(1-hydroxycyclohexyl)ethenyl]-1,2,5-trimethylpiperidin-4-ol.
What is the SMILES notation for 4-[2-(1-hydroxycyclohexyl)ethenyl]-1,2,5-trimethylpiperidin-4-ol?
The canonical SMILES for 4-[2-(1-hydroxycyclohexyl)ethenyl]-1,2,5-trimethylpiperidin-4-ol is CC1CC(O)(C=CC2(O)CCCCC2)C(C)CN1C.
What is the InChIKey of 4-[2-(1-hydroxycyclohexyl)ethenyl]-1,2,5-trimethylpiperidin-4-ol?
The InChIKey is HAKHECCJGGYZQK-UHFFFAOYSA-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.
What are the key properties of 4-[2-(1-hydroxycyclohexyl)ethenyl]-1,2,5-trimethylpiperidin-4-ol?
4-[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-[2-(1-hydroxycyclohexyl)ethenyl]-1,2,5-trimethylpiperidin-4-ol is sourced from PubChem (CID 4916504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).