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

C13H25NO2 — CID 84592089

IUPAC1-[3-(1-hydroxyethyl)piperidin-1-yl]hex-5-en-2-ol
SMILESC=CCCC(O)CN1CCCC(C(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
InChIKeyJZDDUWCUHABRTD-UHFFFAOYSA-N
MW227.35 g/mol
LogP1.41
Rot. Bonds6

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

1-[3-(1-hydroxyethyl)piperidin-1-yl]hex-5-en-2-ol (PubChem CID 84592089) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is 1-[3-(1-hydroxyethyl)piperidin-1-yl]hex-5-en-2-ol.

Molecular Properties

Compound Name1-[3-(1-hydroxyethyl)piperidin-1-yl]hex-5-en-2-ol
PubChem CID84592089
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC Name1-[3-(1-hydroxyethyl)piperidin-1-yl]hex-5-en-2-ol
SMILESC=CCCC(O)CN1CCCC(C(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
InChIKeyJZDDUWCUHABRTD-UHFFFAOYSA-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'}

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(1-hydroxyethyl)piperidin-1-yl]hex-5-en-2-ol?
The IUPAC name of 1-[3-(1-hydroxyethyl)piperidin-1-yl]hex-5-en-2-ol (CID 84592089) is 1-[3-(1-hydroxyethyl)piperidin-1-yl]hex-5-en-2-ol.
What is the SMILES notation for 1-[3-(1-hydroxyethyl)piperidin-1-yl]hex-5-en-2-ol?
The canonical SMILES for 1-[3-(1-hydroxyethyl)piperidin-1-yl]hex-5-en-2-ol is C=CCCC(O)CN1CCCC(C(C)O)C1.
What is the InChIKey of 1-[3-(1-hydroxyethyl)piperidin-1-yl]hex-5-en-2-ol?
The InChIKey is JZDDUWCUHABRTD-UHFFFAOYSA-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.
What are the key properties of 1-[3-(1-hydroxyethyl)piperidin-1-yl]hex-5-en-2-ol?
1-[3-(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 1-[3-(1-hydroxyethyl)piperidin-1-yl]hex-5-en-2-ol is sourced from PubChem (CID 84592089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).