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

C16H29NO2 — CID 7319653

IUPAC(2R,4R,5R)-4-[(E)-2-(1-hydroxycyclohexyl)ethenyl]-1,2,5-trimethylpiperidin-4-ol
SMILESC[C@@H]1C[C@@](O)(/C=C/C2(O)CCCCC2)[C@H](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+/t13-,14-,16+/m1/s1
InChIKeyHAKHECCJGGYZQK-ZVFOQEMXSA-N
MW267.41 g/mol
LogP2.33
Rot. Bonds2

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

(2R,4R,5R)-4-[(E)-2-(1-hydroxycyclohexyl)ethenyl]-1,2,5-trimethylpiperidin-4-ol (PubChem CID 7319653) has the molecular formula C16H29NO2 and a molecular weight of 267.41 g/mol. Its IUPAC name is (2R,4R,5R)-4-[(E)-2-(1-hydroxycyclohexyl)ethenyl]-1,2,5-trimethylpiperidin-4-ol.

Molecular Properties

Compound Name(2R,4R,5R)-4-[(E)-2-(1-hydroxycyclohexyl)ethenyl]-1,2,5-trimethylpiperidin-4-ol
PubChem CID7319653
Molecular FormulaC16H29NO2
Molecular Weight267.41 g/mol
Exact Mass267.22
IUPAC Name(2R,4R,5R)-4-[(E)-2-(1-hydroxycyclohexyl)ethenyl]-1,2,5-trimethylpiperidin-4-ol
SMILESC[C@@H]1C[C@@](O)(/C=C/C2(O)CCCCC2)[C@H](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+/t13-,14-,16+/m1/s1
InChIKeyHAKHECCJGGYZQK-ZVFOQEMXSA-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'}

Analyze (2R,4R,5R)-4-[(E)-2-(1-hydroxycyclohexyl)ethenyl]-1,2,5-trimethylpiperidin-4-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R,4R,5R)-4-[(E)-2-(1-hydroxycyclohexyl)ethenyl]-1,2,5-trimethylpiperidin-4-ol?
The IUPAC name of (2R,4R,5R)-4-[(E)-2-(1-hydroxycyclohexyl)ethenyl]-1,2,5-trimethylpiperidin-4-ol (CID 7319653) is (2R,4R,5R)-4-[(E)-2-(1-hydroxycyclohexyl)ethenyl]-1,2,5-trimethylpiperidin-4-ol.
What is the SMILES notation for (2R,4R,5R)-4-[(E)-2-(1-hydroxycyclohexyl)ethenyl]-1,2,5-trimethylpiperidin-4-ol?
The canonical SMILES for (2R,4R,5R)-4-[(E)-2-(1-hydroxycyclohexyl)ethenyl]-1,2,5-trimethylpiperidin-4-ol is C[C@@H]1C[C@@](O)(/C=C/C2(O)CCCCC2)[C@H](C)CN1C.
What is the InChIKey of (2R,4R,5R)-4-[(E)-2-(1-hydroxycyclohexyl)ethenyl]-1,2,5-trimethylpiperidin-4-ol?
The InChIKey is HAKHECCJGGYZQK-ZVFOQEMXSA-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+/t13-,14-,16+/m1/s1.
What are the key properties of (2R,4R,5R)-4-[(E)-2-(1-hydroxycyclohexyl)ethenyl]-1,2,5-trimethylpiperidin-4-ol?
(2R,4R,5R)-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 (2R,4R,5R)-4-[(E)-2-(1-hydroxycyclohexyl)ethenyl]-1,2,5-trimethylpiperidin-4-ol is sourced from PubChem (CID 7319653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).