1-(oxan-4-ylmethyl)-5-propan-2-yl-3,6-dihydro-2H-pyridine

C14H25NO — CID 130186830

IUPAC1-(oxan-4-ylmethyl)-5-propan-2-yl-3,6-dihydro-2H-pyridine
SMILESCC(C)C1=CCCN(CC2CCOCC2)C1
InChIInChI=1S/C14H25NO/c1-12(2)14-4-3-7-15(11-14)10-13-5-8-16-9-6-13/h4,12-13H,3,5-11H2,1-2H3
InChIKeyJPQPXSFYPACRGK-UHFFFAOYSA-N
MW223.36 g/mol
LogP2.70
Rot. Bonds3

About 1-(oxan-4-ylmethyl)-5-propan-2-yl-3,6-dihydro-2H-pyridine

1-(oxan-4-ylmethyl)-5-propan-2-yl-3,6-dihydro-2H-pyridine (PubChem CID 130186830) has the molecular formula C14H25NO and a molecular weight of 223.36 g/mol. Its IUPAC name is 1-(oxan-4-ylmethyl)-5-propan-2-yl-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name1-(oxan-4-ylmethyl)-5-propan-2-yl-3,6-dihydro-2H-pyridine
PubChem CID130186830
Molecular FormulaC14H25NO
Molecular Weight223.36 g/mol
Exact Mass223.19
IUPAC Name1-(oxan-4-ylmethyl)-5-propan-2-yl-3,6-dihydro-2H-pyridine
SMILESCC(C)C1=CCCN(CC2CCOCC2)C1
InChIInChI=1S/C14H25NO/c1-12(2)14-4-3-7-15(11-14)10-13-5-8-16-9-6-13/h4,12-13H,3,5-11H2,1-2H3
InChIKeyJPQPXSFYPACRGK-UHFFFAOYSA-N
XLogP2.70
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 52.70
H-Bond Donors ≤ 50
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 1-(oxan-4-ylmethyl)-5-propan-2-yl-3,6-dihydro-2H-pyridine?
The IUPAC name of 1-(oxan-4-ylmethyl)-5-propan-2-yl-3,6-dihydro-2H-pyridine (CID 130186830) is 1-(oxan-4-ylmethyl)-5-propan-2-yl-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 1-(oxan-4-ylmethyl)-5-propan-2-yl-3,6-dihydro-2H-pyridine?
The canonical SMILES for 1-(oxan-4-ylmethyl)-5-propan-2-yl-3,6-dihydro-2H-pyridine is CC(C)C1=CCCN(CC2CCOCC2)C1.
What is the InChIKey of 1-(oxan-4-ylmethyl)-5-propan-2-yl-3,6-dihydro-2H-pyridine?
The InChIKey is JPQPXSFYPACRGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO/c1-12(2)14-4-3-7-15(11-14)10-13-5-8-16-9-6-13/h4,12-13H,3,5-11H2,1-2H3.
What are the key properties of 1-(oxan-4-ylmethyl)-5-propan-2-yl-3,6-dihydro-2H-pyridine?
1-(oxan-4-ylmethyl)-5-propan-2-yl-3,6-dihydro-2H-pyridine has a molecular weight of 223.36 g/mol, XLogP of 2.70, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxan-4-ylmethyl)-5-propan-2-yl-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 130186830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).