4-(methoxymethyl)-1-(3-piperidin-4-yloxypropyl)-3,6-dihydro-2H-pyridine

C15H28N2O2 — CID 114411033

IUPAC4-(methoxymethyl)-1-(3-piperidin-4-yloxypropyl)-3,6-dihydro-2H-pyridine
SMILESCOCC1=CCN(CCCOC2CCNCC2)CC1
InChIInChI=1S/C15H28N2O2/c1-18-13-14-5-10-17(11-6-14)9-2-12-19-15-3-7-16-8-4-15/h5,15-16H,2-4,6-13H2,1H3
InChIKeyXIPKNQPOKQWJAF-UHFFFAOYSA-N
MW268.40 g/mol
LogP1.42
Rot. Bonds7

About 4-(methoxymethyl)-1-(3-piperidin-4-yloxypropyl)-3,6-dihydro-2H-pyridine

4-(methoxymethyl)-1-(3-piperidin-4-yloxypropyl)-3,6-dihydro-2H-pyridine (PubChem CID 114411033) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 4-(methoxymethyl)-1-(3-piperidin-4-yloxypropyl)-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name4-(methoxymethyl)-1-(3-piperidin-4-yloxypropyl)-3,6-dihydro-2H-pyridine
PubChem CID114411033
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC Name4-(methoxymethyl)-1-(3-piperidin-4-yloxypropyl)-3,6-dihydro-2H-pyridine
SMILESCOCC1=CCN(CCCOC2CCNCC2)CC1
InChIInChI=1S/C15H28N2O2/c1-18-13-14-5-10-17(11-6-14)9-2-12-19-15-3-7-16-8-4-15/h5,15-16H,2-4,6-13H2,1H3
InChIKeyXIPKNQPOKQWJAF-UHFFFAOYSA-N
XLogP1.42
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-(methoxymethyl)-1-(3-piperidin-4-yloxypropyl)-3,6-dihydro-2H-pyridine?
The IUPAC name of 4-(methoxymethyl)-1-(3-piperidin-4-yloxypropyl)-3,6-dihydro-2H-pyridine (CID 114411033) is 4-(methoxymethyl)-1-(3-piperidin-4-yloxypropyl)-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 4-(methoxymethyl)-1-(3-piperidin-4-yloxypropyl)-3,6-dihydro-2H-pyridine?
The canonical SMILES for 4-(methoxymethyl)-1-(3-piperidin-4-yloxypropyl)-3,6-dihydro-2H-pyridine is COCC1=CCN(CCCOC2CCNCC2)CC1.
What is the InChIKey of 4-(methoxymethyl)-1-(3-piperidin-4-yloxypropyl)-3,6-dihydro-2H-pyridine?
The InChIKey is XIPKNQPOKQWJAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-18-13-14-5-10-17(11-6-14)9-2-12-19-15-3-7-16-8-4-15/h5,15-16H,2-4,6-13H2,1H3.
What are the key properties of 4-(methoxymethyl)-1-(3-piperidin-4-yloxypropyl)-3,6-dihydro-2H-pyridine?
4-(methoxymethyl)-1-(3-piperidin-4-yloxypropyl)-3,6-dihydro-2H-pyridine has a molecular weight of 268.40 g/mol, XLogP of 1.42, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methoxymethyl)-1-(3-piperidin-4-yloxypropyl)-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 114411033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).