2-[1-(oxan-4-yl)propyl]pyridine

C13H19NO — CID 135227952

IUPAC2-[1-(oxan-4-yl)propyl]pyridine
SMILESCCC(c1ccccn1)C1CCOCC1
InChIInChI=1S/C13H19NO/c1-2-12(11-6-9-15-10-7-11)13-5-3-4-8-14-13/h3-5,8,11-12H,2,6-7,9-10H2,1H3
InChIKeyOSEKCUMYWPGPHS-UHFFFAOYSA-N
MW205.30 g/mol
LogP3.00
Rot. Bonds3

About 2-[1-(oxan-4-yl)propyl]pyridine

2-[1-(oxan-4-yl)propyl]pyridine (PubChem CID 135227952) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 2-[1-(oxan-4-yl)propyl]pyridine.

Molecular Properties

Compound Name2-[1-(oxan-4-yl)propyl]pyridine
PubChem CID135227952
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name2-[1-(oxan-4-yl)propyl]pyridine
SMILESCCC(c1ccccn1)C1CCOCC1
InChIInChI=1S/C13H19NO/c1-2-12(11-6-9-15-10-7-11)13-5-3-4-8-14-13/h3-5,8,11-12H,2,6-7,9-10H2,1H3
InChIKeyOSEKCUMYWPGPHS-UHFFFAOYSA-N
XLogP3.00
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(oxan-4-yl)propyl]pyridine?
The IUPAC name of 2-[1-(oxan-4-yl)propyl]pyridine (CID 135227952) is 2-[1-(oxan-4-yl)propyl]pyridine.
What is the SMILES notation for 2-[1-(oxan-4-yl)propyl]pyridine?
The canonical SMILES for 2-[1-(oxan-4-yl)propyl]pyridine is CCC(c1ccccn1)C1CCOCC1.
What is the InChIKey of 2-[1-(oxan-4-yl)propyl]pyridine?
The InChIKey is OSEKCUMYWPGPHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-2-12(11-6-9-15-10-7-11)13-5-3-4-8-14-13/h3-5,8,11-12H,2,6-7,9-10H2,1H3.
What are the key properties of 2-[1-(oxan-4-yl)propyl]pyridine?
2-[1-(oxan-4-yl)propyl]pyridine has a molecular weight of 205.30 g/mol, XLogP of 3.00, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(oxan-4-yl)propyl]pyridine is sourced from PubChem (CID 135227952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).