1-(1,2,3,6-tetrahydropyridin-5-yl)ethanol

C7H13NO — CID 77395288

IUPAC1-(1,2,3,6-tetrahydropyridin-5-yl)ethanol
SMILESCC(O)C1=CCCNC1
InChIInChI=1S/C7H13NO/c1-6(9)7-3-2-4-8-5-7/h3,6,8-9H,2,4-5H2,1H3
InChIKeyWHIAIFIRCZXUIF-UHFFFAOYSA-N
MW127.19 g/mol
LogP0.29
Rot. Bonds1

About 1-(1,2,3,6-tetrahydropyridin-5-yl)ethanol

1-(1,2,3,6-tetrahydropyridin-5-yl)ethanol (PubChem CID 77395288) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is 1-(1,2,3,6-tetrahydropyridin-5-yl)ethanol.

Molecular Properties

Compound Name1-(1,2,3,6-tetrahydropyridin-5-yl)ethanol
PubChem CID77395288
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC Name1-(1,2,3,6-tetrahydropyridin-5-yl)ethanol
SMILESCC(O)C1=CCCNC1
InChIInChI=1S/C7H13NO/c1-6(9)7-3-2-4-8-5-7/h3,6,8-9H,2,4-5H2,1H3
InChIKeyWHIAIFIRCZXUIF-UHFFFAOYSA-N
XLogP0.29
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-(1,2,3,6-tetrahydropyridin-5-yl)ethanol?
The IUPAC name of 1-(1,2,3,6-tetrahydropyridin-5-yl)ethanol (CID 77395288) is 1-(1,2,3,6-tetrahydropyridin-5-yl)ethanol.
What is the SMILES notation for 1-(1,2,3,6-tetrahydropyridin-5-yl)ethanol?
The canonical SMILES for 1-(1,2,3,6-tetrahydropyridin-5-yl)ethanol is CC(O)C1=CCCNC1.
What is the InChIKey of 1-(1,2,3,6-tetrahydropyridin-5-yl)ethanol?
The InChIKey is WHIAIFIRCZXUIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO/c1-6(9)7-3-2-4-8-5-7/h3,6,8-9H,2,4-5H2,1H3.
What are the key properties of 1-(1,2,3,6-tetrahydropyridin-5-yl)ethanol?
1-(1,2,3,6-tetrahydropyridin-5-yl)ethanol has a molecular weight of 127.19 g/mol, XLogP of 0.29, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2,3,6-tetrahydropyridin-5-yl)ethanol is sourced from PubChem (CID 77395288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).