1-[[4-(methoxymethyl)piperidin-4-yl]methyl]-5-methyl-3,6-dihydro-2H-pyridine

C14H26N2O — CID 106314960

IUPAC1-[[4-(methoxymethyl)piperidin-4-yl]methyl]-5-methyl-3,6-dihydro-2H-pyridine
SMILESCOCC1(CN2CCC=C(C)C2)CCNCC1
InChIInChI=1S/C14H26N2O/c1-13-4-3-9-16(10-13)11-14(12-17-2)5-7-15-8-6-14/h4,15H,3,5-12H2,1-2H3
InChIKeyPDLWHDGNQSLBCT-UHFFFAOYSA-N
MW238.37 g/mol
LogP1.65
Rot. Bonds4

About 1-[[4-(methoxymethyl)piperidin-4-yl]methyl]-5-methyl-3,6-dihydro-2H-pyridine

1-[[4-(methoxymethyl)piperidin-4-yl]methyl]-5-methyl-3,6-dihydro-2H-pyridine (PubChem CID 106314960) has the molecular formula C14H26N2O and a molecular weight of 238.37 g/mol. Its IUPAC name is 1-[[4-(methoxymethyl)piperidin-4-yl]methyl]-5-methyl-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name1-[[4-(methoxymethyl)piperidin-4-yl]methyl]-5-methyl-3,6-dihydro-2H-pyridine
PubChem CID106314960
Molecular FormulaC14H26N2O
Molecular Weight238.37 g/mol
Exact Mass238.20
IUPAC Name1-[[4-(methoxymethyl)piperidin-4-yl]methyl]-5-methyl-3,6-dihydro-2H-pyridine
SMILESCOCC1(CN2CCC=C(C)C2)CCNCC1
InChIInChI=1S/C14H26N2O/c1-13-4-3-9-16(10-13)11-14(12-17-2)5-7-15-8-6-14/h4,15H,3,5-12H2,1-2H3
InChIKeyPDLWHDGNQSLBCT-UHFFFAOYSA-N
XLogP1.65
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 51.65
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-[[4-(methoxymethyl)piperidin-4-yl]methyl]-5-methyl-3,6-dihydro-2H-pyridine?
The IUPAC name of 1-[[4-(methoxymethyl)piperidin-4-yl]methyl]-5-methyl-3,6-dihydro-2H-pyridine (CID 106314960) is 1-[[4-(methoxymethyl)piperidin-4-yl]methyl]-5-methyl-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 1-[[4-(methoxymethyl)piperidin-4-yl]methyl]-5-methyl-3,6-dihydro-2H-pyridine?
The canonical SMILES for 1-[[4-(methoxymethyl)piperidin-4-yl]methyl]-5-methyl-3,6-dihydro-2H-pyridine is COCC1(CN2CCC=C(C)C2)CCNCC1.
What is the InChIKey of 1-[[4-(methoxymethyl)piperidin-4-yl]methyl]-5-methyl-3,6-dihydro-2H-pyridine?
The InChIKey is PDLWHDGNQSLBCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O/c1-13-4-3-9-16(10-13)11-14(12-17-2)5-7-15-8-6-14/h4,15H,3,5-12H2,1-2H3.
What are the key properties of 1-[[4-(methoxymethyl)piperidin-4-yl]methyl]-5-methyl-3,6-dihydro-2H-pyridine?
1-[[4-(methoxymethyl)piperidin-4-yl]methyl]-5-methyl-3,6-dihydro-2H-pyridine has a molecular weight of 238.37 g/mol, XLogP of 1.65, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(methoxymethyl)piperidin-4-yl]methyl]-5-methyl-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 106314960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).