(2R)-1-[(3R)-3-[(1R)-1-hydroxyethyl]piperidin-1-yl]hex-5-en-2-ol

C13H25NO2 — CID 97093052

IUPAC(2R)-1-[(3R)-3-[(1R)-1-hydroxyethyl]piperidin-1-yl]hex-5-en-2-ol
SMILESC=CCC[C@@H](O)CN1CCC[C@@H]([C@@H](C)O)C1
InChIInChI=1S/C13H25NO2/c1-3-4-7-13(16)10-14-8-5-6-12(9-14)11(2)15/h3,11-13,15-16H,1,4-10H2,2H3/t11-,12-,13-/m1/s1
InChIKeyJZDDUWCUHABRTD-JHJVBQTASA-N
MW227.35 g/mol
LogP1.41
Rot. Bonds6

About (2R)-1-[(3R)-3-[(1R)-1-hydroxyethyl]piperidin-1-yl]hex-5-en-2-ol

(2R)-1-[(3R)-3-[(1R)-1-hydroxyethyl]piperidin-1-yl]hex-5-en-2-ol (PubChem CID 97093052) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is (2R)-1-[(3R)-3-[(1R)-1-hydroxyethyl]piperidin-1-yl]hex-5-en-2-ol.

Molecular Properties

Compound Name(2R)-1-[(3R)-3-[(1R)-1-hydroxyethyl]piperidin-1-yl]hex-5-en-2-ol
PubChem CID97093052
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC Name(2R)-1-[(3R)-3-[(1R)-1-hydroxyethyl]piperidin-1-yl]hex-5-en-2-ol
SMILESC=CCC[C@@H](O)CN1CCC[C@@H]([C@@H](C)O)C1
InChIInChI=1S/C13H25NO2/c1-3-4-7-13(16)10-14-8-5-6-12(9-14)11(2)15/h3,11-13,15-16H,1,4-10H2,2H3/t11-,12-,13-/m1/s1
InChIKeyJZDDUWCUHABRTD-JHJVBQTASA-N
XLogP1.41
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (2R)-1-[(3R)-3-[(1R)-1-hydroxyethyl]piperidin-1-yl]hex-5-en-2-ol with MolForge

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

Launch Full Analysis

Related Compounds

[(3R)-1-(2-ethoxyethyl)-3-prop-2-enylpiperidin-3-yl]methanol
CID 97145669
1-Methyl-3-pent-4-enylpiperidin-2-ol
CID 134859970
2-(3-Ethenyl-1-heptylpiperidin-4-yl)ethanol
CID 17900681
1,3-Dimethyl-3-prop-2-enylpiperidin-4-ol
CID 20616580
actinium;3-[(E)-1-hydroxy-5-iodopent-4-enyl]-1-methylpiperidin-4-ol
CID 20696714
actinium;3-[(E)-1-hydroxyhex-4-enyl]-1-methylpiperidin-4-ol
CID 20696725
actinium;3-[(E)-1-hydroxy-5-iodopent-4-enyl]-1-methylpiperidin-4-ol
CID 20696727
actinium;3-[(E)-1-methoxyhex-4-enyl]-1-methylpiperidin-4-ol
CID 20696731
actinium;3-[(E)-5-iodo-1-methoxypent-4-enyl]-1-methylpiperidin-4-ol
CID 20696736
2-[(3R,4S)-3-ethenyl-1-heptylpiperidin-4-yl]ethanol
CID 56990867
1-Methyl-3-prop-2-enylpiperidin-4-ol
CID 59827004
actinium;3-[(E)-5-(123I)iodo-1-methoxypent-4-enyl]-1-methylpiperidin-4-ol
CID 59971179

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[(3R)-3-[(1R)-1-hydroxyethyl]piperidin-1-yl]hex-5-en-2-ol?
The IUPAC name of (2R)-1-[(3R)-3-[(1R)-1-hydroxyethyl]piperidin-1-yl]hex-5-en-2-ol (CID 97093052) is (2R)-1-[(3R)-3-[(1R)-1-hydroxyethyl]piperidin-1-yl]hex-5-en-2-ol.
What is the SMILES notation for (2R)-1-[(3R)-3-[(1R)-1-hydroxyethyl]piperidin-1-yl]hex-5-en-2-ol?
The canonical SMILES for (2R)-1-[(3R)-3-[(1R)-1-hydroxyethyl]piperidin-1-yl]hex-5-en-2-ol is C=CCC[C@@H](O)CN1CCC[C@@H]([C@@H](C)O)C1.
What is the InChIKey of (2R)-1-[(3R)-3-[(1R)-1-hydroxyethyl]piperidin-1-yl]hex-5-en-2-ol?
The InChIKey is JZDDUWCUHABRTD-JHJVBQTASA-N. The full InChI is InChI=1S/C13H25NO2/c1-3-4-7-13(16)10-14-8-5-6-12(9-14)11(2)15/h3,11-13,15-16H,1,4-10H2,2H3/t11-,12-,13-/m1/s1.
What are the key properties of (2R)-1-[(3R)-3-[(1R)-1-hydroxyethyl]piperidin-1-yl]hex-5-en-2-ol?
(2R)-1-[(3R)-3-[(1R)-1-hydroxyethyl]piperidin-1-yl]hex-5-en-2-ol has a molecular weight of 227.35 g/mol, XLogP of 1.41, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[(3R)-3-[(1R)-1-hydroxyethyl]piperidin-1-yl]hex-5-en-2-ol is sourced from PubChem (CID 97093052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).