4-[(2-methylpiperidin-4-yl)oxymethyl]pyridine;prop-1-ene

C15H24N2O — CID 91248951

IUPAC4-[(2-methylpiperidin-4-yl)oxymethyl]pyridine;prop-1-ene
SMILESC=CC.CC1CC(OCc2ccncc2)CCN1
InChIInChI=1S/C12H18N2O.C3H6/c1-10-8-12(4-7-14-10)15-9-11-2-5-13-6-3-11;1-3-2/h2-3,5-6,10,12,14H,4,7-9H2,1H3;3H,1H2,2H3
InChIKeyPAGGDUDYAQLCMH-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.93
Rot. Bonds3

About 4-[(2-methylpiperidin-4-yl)oxymethyl]pyridine;prop-1-ene

4-[(2-methylpiperidin-4-yl)oxymethyl]pyridine;prop-1-ene (PubChem CID 91248951) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 4-[(2-methylpiperidin-4-yl)oxymethyl]pyridine;prop-1-ene.

Molecular Properties

Compound Name4-[(2-methylpiperidin-4-yl)oxymethyl]pyridine;prop-1-ene
PubChem CID91248951
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name4-[(2-methylpiperidin-4-yl)oxymethyl]pyridine;prop-1-ene
SMILESC=CC.CC1CC(OCc2ccncc2)CCN1
InChIInChI=1S/C12H18N2O.C3H6/c1-10-8-12(4-7-14-10)15-9-11-2-5-13-6-3-11;1-3-2/h2-3,5-6,10,12,14H,4,7-9H2,1H3;3H,1H2,2H3
InChIKeyPAGGDUDYAQLCMH-UHFFFAOYSA-N
XLogP2.93
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 4-[(2-methylpiperidin-4-yl)oxymethyl]pyridine;prop-1-ene?
The IUPAC name of 4-[(2-methylpiperidin-4-yl)oxymethyl]pyridine;prop-1-ene (CID 91248951) is 4-[(2-methylpiperidin-4-yl)oxymethyl]pyridine;prop-1-ene.
What is the SMILES notation for 4-[(2-methylpiperidin-4-yl)oxymethyl]pyridine;prop-1-ene?
The canonical SMILES for 4-[(2-methylpiperidin-4-yl)oxymethyl]pyridine;prop-1-ene is C=CC.CC1CC(OCc2ccncc2)CCN1.
What is the InChIKey of 4-[(2-methylpiperidin-4-yl)oxymethyl]pyridine;prop-1-ene?
The InChIKey is PAGGDUDYAQLCMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O.C3H6/c1-10-8-12(4-7-14-10)15-9-11-2-5-13-6-3-11;1-3-2/h2-3,5-6,10,12,14H,4,7-9H2,1H3;3H,1H2,2H3.
What are the key properties of 4-[(2-methylpiperidin-4-yl)oxymethyl]pyridine;prop-1-ene?
4-[(2-methylpiperidin-4-yl)oxymethyl]pyridine;prop-1-ene has a molecular weight of 248.37 g/mol, XLogP of 2.93, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methylpiperidin-4-yl)oxymethyl]pyridine;prop-1-ene is sourced from PubChem (CID 91248951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).