2-(1,2,3,6-tetrahydropyridin-4-yl)propan-1-ol

C8H15NO — CID 117275070

IUPAC2-(1,2,3,6-tetrahydropyridin-4-yl)propan-1-ol
SMILESCC(CO)C1=CCNCC1
InChIInChI=1S/C8H15NO/c1-7(6-10)8-2-4-9-5-3-8/h2,7,9-10H,3-6H2,1H3
InChIKeyWNVWLCPRTAHOEM-UHFFFAOYSA-N
MW141.21 g/mol
LogP0.53
Rot. Bonds2

About 2-(1,2,3,6-tetrahydropyridin-4-yl)propan-1-ol

2-(1,2,3,6-tetrahydropyridin-4-yl)propan-1-ol (PubChem CID 117275070) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is 2-(1,2,3,6-tetrahydropyridin-4-yl)propan-1-ol.

Molecular Properties

Compound Name2-(1,2,3,6-tetrahydropyridin-4-yl)propan-1-ol
PubChem CID117275070
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name2-(1,2,3,6-tetrahydropyridin-4-yl)propan-1-ol
SMILESCC(CO)C1=CCNCC1
InChIInChI=1S/C8H15NO/c1-7(6-10)8-2-4-9-5-3-8/h2,7,9-10H,3-6H2,1H3
InChIKeyWNVWLCPRTAHOEM-UHFFFAOYSA-N
XLogP0.53
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 50.53
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 2-(1,2,3,6-tetrahydropyridin-4-yl)propan-1-ol?
The IUPAC name of 2-(1,2,3,6-tetrahydropyridin-4-yl)propan-1-ol (CID 117275070) is 2-(1,2,3,6-tetrahydropyridin-4-yl)propan-1-ol.
What is the SMILES notation for 2-(1,2,3,6-tetrahydropyridin-4-yl)propan-1-ol?
The canonical SMILES for 2-(1,2,3,6-tetrahydropyridin-4-yl)propan-1-ol is CC(CO)C1=CCNCC1.
What is the InChIKey of 2-(1,2,3,6-tetrahydropyridin-4-yl)propan-1-ol?
The InChIKey is WNVWLCPRTAHOEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO/c1-7(6-10)8-2-4-9-5-3-8/h2,7,9-10H,3-6H2,1H3.
What are the key properties of 2-(1,2,3,6-tetrahydropyridin-4-yl)propan-1-ol?
2-(1,2,3,6-tetrahydropyridin-4-yl)propan-1-ol has a molecular weight of 141.21 g/mol, XLogP of 0.53, 2 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-4-yl)propan-1-ol is sourced from PubChem (CID 117275070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).