2-(1,2,3,6-tetrahydropyridin-5-yl)propan-2-ol

C8H15NO — CID 117205997

IUPAC2-(1,2,3,6-tetrahydropyridin-5-yl)propan-2-ol
SMILESCC(C)(O)C1=CCCNC1
InChIInChI=1S/C8H15NO/c1-8(2,10)7-4-3-5-9-6-7/h4,9-10H,3,5-6H2,1-2H3
InChIKeyAOIPZCDNVRUJDQ-UHFFFAOYSA-N
MW141.21 g/mol
LogP0.68
Rot. Bonds1

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

2-(1,2,3,6-tetrahydropyridin-5-yl)propan-2-ol (PubChem CID 117205997) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is 2-(1,2,3,6-tetrahydropyridin-5-yl)propan-2-ol.

Molecular Properties

Compound Name2-(1,2,3,6-tetrahydropyridin-5-yl)propan-2-ol
PubChem CID117205997
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name2-(1,2,3,6-tetrahydropyridin-5-yl)propan-2-ol
SMILESCC(C)(O)C1=CCCNC1
InChIInChI=1S/C8H15NO/c1-8(2,10)7-4-3-5-9-6-7/h4,9-10H,3,5-6H2,1-2H3
InChIKeyAOIPZCDNVRUJDQ-UHFFFAOYSA-N
XLogP0.68
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(1,2,3,6-tetrahydropyridin-5-yl)propan-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

Frequently Asked Questions

What is the IUPAC name of 2-(1,2,3,6-tetrahydropyridin-5-yl)propan-2-ol?
The IUPAC name of 2-(1,2,3,6-tetrahydropyridin-5-yl)propan-2-ol (CID 117205997) is 2-(1,2,3,6-tetrahydropyridin-5-yl)propan-2-ol.
What is the SMILES notation for 2-(1,2,3,6-tetrahydropyridin-5-yl)propan-2-ol?
The canonical SMILES for 2-(1,2,3,6-tetrahydropyridin-5-yl)propan-2-ol is CC(C)(O)C1=CCCNC1.
What is the InChIKey of 2-(1,2,3,6-tetrahydropyridin-5-yl)propan-2-ol?
The InChIKey is AOIPZCDNVRUJDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO/c1-8(2,10)7-4-3-5-9-6-7/h4,9-10H,3,5-6H2,1-2H3.
What are the key properties of 2-(1,2,3,6-tetrahydropyridin-5-yl)propan-2-ol?
2-(1,2,3,6-tetrahydropyridin-5-yl)propan-2-ol has a molecular weight of 141.21 g/mol, XLogP of 0.68, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2,3,6-tetrahydropyridin-5-yl)propan-2-ol is sourced from PubChem (CID 117205997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).