1-[(3,3-dimethylpiperidin-2-yl)methyl]-4-(methoxymethyl)-3,6-dihydro-2H-pyridine

C15H28N2O — CID 114084498

IUPAC1-[(3,3-dimethylpiperidin-2-yl)methyl]-4-(methoxymethyl)-3,6-dihydro-2H-pyridine
SMILESCOCC1=CCN(CC2NCCCC2(C)C)CC1
InChIInChI=1S/C15H28N2O/c1-15(2)7-4-8-16-14(15)11-17-9-5-13(6-10-17)12-18-3/h5,14,16H,4,6-12H2,1-3H3
InChIKeyMVQPIHVGFNYXFG-UHFFFAOYSA-N
MW252.40 g/mol
LogP2.04
Rot. Bonds4

About 1-[(3,3-dimethylpiperidin-2-yl)methyl]-4-(methoxymethyl)-3,6-dihydro-2H-pyridine

1-[(3,3-dimethylpiperidin-2-yl)methyl]-4-(methoxymethyl)-3,6-dihydro-2H-pyridine (PubChem CID 114084498) has the molecular formula C15H28N2O and a molecular weight of 252.40 g/mol. Its IUPAC name is 1-[(3,3-dimethylpiperidin-2-yl)methyl]-4-(methoxymethyl)-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name1-[(3,3-dimethylpiperidin-2-yl)methyl]-4-(methoxymethyl)-3,6-dihydro-2H-pyridine
PubChem CID114084498
Molecular FormulaC15H28N2O
Molecular Weight252.40 g/mol
Exact Mass252.22
IUPAC Name1-[(3,3-dimethylpiperidin-2-yl)methyl]-4-(methoxymethyl)-3,6-dihydro-2H-pyridine
SMILESCOCC1=CCN(CC2NCCCC2(C)C)CC1
InChIInChI=1S/C15H28N2O/c1-15(2)7-4-8-16-14(15)11-17-9-5-13(6-10-17)12-18-3/h5,14,16H,4,6-12H2,1-3H3
InChIKeyMVQPIHVGFNYXFG-UHFFFAOYSA-N
XLogP2.04
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 52.04
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 1-[(3,3-dimethylpiperidin-2-yl)methyl]-4-(methoxymethyl)-3,6-dihydro-2H-pyridine?
The IUPAC name of 1-[(3,3-dimethylpiperidin-2-yl)methyl]-4-(methoxymethyl)-3,6-dihydro-2H-pyridine (CID 114084498) is 1-[(3,3-dimethylpiperidin-2-yl)methyl]-4-(methoxymethyl)-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 1-[(3,3-dimethylpiperidin-2-yl)methyl]-4-(methoxymethyl)-3,6-dihydro-2H-pyridine?
The canonical SMILES for 1-[(3,3-dimethylpiperidin-2-yl)methyl]-4-(methoxymethyl)-3,6-dihydro-2H-pyridine is COCC1=CCN(CC2NCCCC2(C)C)CC1.
What is the InChIKey of 1-[(3,3-dimethylpiperidin-2-yl)methyl]-4-(methoxymethyl)-3,6-dihydro-2H-pyridine?
The InChIKey is MVQPIHVGFNYXFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O/c1-15(2)7-4-8-16-14(15)11-17-9-5-13(6-10-17)12-18-3/h5,14,16H,4,6-12H2,1-3H3.
What are the key properties of 1-[(3,3-dimethylpiperidin-2-yl)methyl]-4-(methoxymethyl)-3,6-dihydro-2H-pyridine?
1-[(3,3-dimethylpiperidin-2-yl)methyl]-4-(methoxymethyl)-3,6-dihydro-2H-pyridine has a molecular weight of 252.40 g/mol, XLogP of 2.04, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,3-dimethylpiperidin-2-yl)methyl]-4-(methoxymethyl)-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 114084498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).