4-(3,6-dihydro-2H-pyridin-1-yl)butan-1-ol

C9H17NO — CID 58589111

IUPAC4-(3,6-dihydro-2H-pyridin-1-yl)butan-1-ol
SMILESOCCCCN1CC=CCC1
InChIInChI=1S/C9H17NO/c11-9-5-4-8-10-6-2-1-3-7-10/h1-2,11H,3-9H2
InChIKeyYDLXRWQEFWVKCC-UHFFFAOYSA-N
MW155.24 g/mol
LogP1.02
Rot. Bonds4

About 4-(3,6-dihydro-2H-pyridin-1-yl)butan-1-ol

4-(3,6-dihydro-2H-pyridin-1-yl)butan-1-ol (PubChem CID 58589111) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is 4-(3,6-dihydro-2H-pyridin-1-yl)butan-1-ol.

Molecular Properties

Compound Name4-(3,6-dihydro-2H-pyridin-1-yl)butan-1-ol
PubChem CID58589111
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name4-(3,6-dihydro-2H-pyridin-1-yl)butan-1-ol
SMILESOCCCCN1CC=CCC1
InChIInChI=1S/C9H17NO/c11-9-5-4-8-10-6-2-1-3-7-10/h1-2,11H,3-9H2
InChIKeyYDLXRWQEFWVKCC-UHFFFAOYSA-N
XLogP1.02
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(3,6-dihydro-2H-pyridin-1-yl)butan-1-ol?
The IUPAC name of 4-(3,6-dihydro-2H-pyridin-1-yl)butan-1-ol (CID 58589111) is 4-(3,6-dihydro-2H-pyridin-1-yl)butan-1-ol.
What is the SMILES notation for 4-(3,6-dihydro-2H-pyridin-1-yl)butan-1-ol?
The canonical SMILES for 4-(3,6-dihydro-2H-pyridin-1-yl)butan-1-ol is OCCCCN1CC=CCC1.
What is the InChIKey of 4-(3,6-dihydro-2H-pyridin-1-yl)butan-1-ol?
The InChIKey is YDLXRWQEFWVKCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO/c11-9-5-4-8-10-6-2-1-3-7-10/h1-2,11H,3-9H2.
What are the key properties of 4-(3,6-dihydro-2H-pyridin-1-yl)butan-1-ol?
4-(3,6-dihydro-2H-pyridin-1-yl)butan-1-ol has a molecular weight of 155.24 g/mol, XLogP of 1.02, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,6-dihydro-2H-pyridin-1-yl)butan-1-ol is sourced from PubChem (CID 58589111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).