1-pyridin-4-ylbutan-1-ol

C9H13NO — CID 54278068

IUPAC1-pyridin-4-ylbutan-1-ol
SMILESCCCC(O)c1ccncc1
InChIInChI=1S/C9H13NO/c1-2-3-9(11)8-4-6-10-7-5-8/h4-7,9,11H,2-3H2,1H3
InChIKeyROVFFIGUCBTDGW-UHFFFAOYSA-N
MW151.21 g/mol
LogP1.92
Rot. Bonds3

About 1-pyridin-4-ylbutan-1-ol

1-pyridin-4-ylbutan-1-ol (PubChem CID 54278068) has the molecular formula C9H13NO and a molecular weight of 151.21 g/mol. Its IUPAC name is 1-pyridin-4-ylbutan-1-ol.

Molecular Properties

Compound Name1-pyridin-4-ylbutan-1-ol
PubChem CID54278068
Molecular FormulaC9H13NO
Molecular Weight151.21 g/mol
Exact Mass151.10
IUPAC Name1-pyridin-4-ylbutan-1-ol
SMILESCCCC(O)c1ccncc1
InChIInChI=1S/C9H13NO/c1-2-3-9(11)8-4-6-10-7-5-8/h4-7,9,11H,2-3H2,1H3
InChIKeyROVFFIGUCBTDGW-UHFFFAOYSA-N
XLogP1.92
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-pyridin-4-ylbutan-1-ol?
The IUPAC name of 1-pyridin-4-ylbutan-1-ol (CID 54278068) is 1-pyridin-4-ylbutan-1-ol.
What is the SMILES notation for 1-pyridin-4-ylbutan-1-ol?
The canonical SMILES for 1-pyridin-4-ylbutan-1-ol is CCCC(O)c1ccncc1.
What is the InChIKey of 1-pyridin-4-ylbutan-1-ol?
The InChIKey is ROVFFIGUCBTDGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO/c1-2-3-9(11)8-4-6-10-7-5-8/h4-7,9,11H,2-3H2,1H3.
What are the key properties of 1-pyridin-4-ylbutan-1-ol?
1-pyridin-4-ylbutan-1-ol has a molecular weight of 151.21 g/mol, XLogP of 1.92, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyridin-4-ylbutan-1-ol is sourced from PubChem (CID 54278068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).