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

C12H22N2O — CID 106315003

IUPAC1-[(4-methoxypyrrolidin-2-yl)methyl]-5-methyl-3,6-dihydro-2H-pyridine
SMILESCOC1CNC(CN2CCC=C(C)C2)C1
InChIInChI=1S/C12H22N2O/c1-10-4-3-5-14(8-10)9-11-6-12(15-2)7-13-11/h4,11-13H,3,5-9H2,1-2H3
InChIKeyCDEBZLNDHCKRCO-UHFFFAOYSA-N
MW210.32 g/mol
LogP1.02
Rot. Bonds3

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

1-[(4-methoxypyrrolidin-2-yl)methyl]-5-methyl-3,6-dihydro-2H-pyridine (PubChem CID 106315003) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is 1-[(4-methoxypyrrolidin-2-yl)methyl]-5-methyl-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name1-[(4-methoxypyrrolidin-2-yl)methyl]-5-methyl-3,6-dihydro-2H-pyridine
PubChem CID106315003
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Name1-[(4-methoxypyrrolidin-2-yl)methyl]-5-methyl-3,6-dihydro-2H-pyridine
SMILESCOC1CNC(CN2CCC=C(C)C2)C1
InChIInChI=1S/C12H22N2O/c1-10-4-3-5-14(8-10)9-11-6-12(15-2)7-13-11/h4,11-13H,3,5-9H2,1-2H3
InChIKeyCDEBZLNDHCKRCO-UHFFFAOYSA-N
XLogP1.02
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-[(4-methoxypyrrolidin-2-yl)methyl]-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine
CID 114490247
4-methoxy-N,1-dimethyl-2-[(E)-prop-1-enyl]pyrrolidin-3-amine
CID 155201713
N-ethyl-N-[(4-methoxypyrrolidin-2-yl)methyl]-2-methylprop-2-en-1-amine
CID 61214234
N-[(4-methoxypyrrolidin-2-yl)methyl]-N-prop-2-enylprop-2-en-1-amine
CID 61214668
N-[(4-methoxypyrrolidin-2-yl)methyl]-N-methylprop-2-en-1-amine
CID 81811343
N-[(4-methoxypyrrolidin-2-yl)methyl]-N-prop-2-enylpropan-1-amine
CID 81811771
N-ethyl-N-[(4-methoxypyrrolidin-2-yl)methyl]prop-2-en-1-amine
CID 81811986
N-[(4-methoxypyrrolidin-2-yl)methyl]-N-prop-2-enylpropan-2-amine
CID 81812046
N-[(4-methoxypyrrolidin-2-yl)methyl]-2-methyl-N-prop-2-enylpropan-2-amine
CID 81812260
3-methoxy-N-methyl-2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-amine
CID 103227330
N-ethyl-3-methoxy-2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-amine
CID 103227331
3-methoxy-2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-N-propan-2-ylpropan-1-amine
CID 103227332

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methoxypyrrolidin-2-yl)methyl]-5-methyl-3,6-dihydro-2H-pyridine?
The IUPAC name of 1-[(4-methoxypyrrolidin-2-yl)methyl]-5-methyl-3,6-dihydro-2H-pyridine (CID 106315003) is 1-[(4-methoxypyrrolidin-2-yl)methyl]-5-methyl-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 1-[(4-methoxypyrrolidin-2-yl)methyl]-5-methyl-3,6-dihydro-2H-pyridine?
The canonical SMILES for 1-[(4-methoxypyrrolidin-2-yl)methyl]-5-methyl-3,6-dihydro-2H-pyridine is COC1CNC(CN2CCC=C(C)C2)C1.
What is the InChIKey of 1-[(4-methoxypyrrolidin-2-yl)methyl]-5-methyl-3,6-dihydro-2H-pyridine?
The InChIKey is CDEBZLNDHCKRCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c1-10-4-3-5-14(8-10)9-11-6-12(15-2)7-13-11/h4,11-13H,3,5-9H2,1-2H3.
What are the key properties of 1-[(4-methoxypyrrolidin-2-yl)methyl]-5-methyl-3,6-dihydro-2H-pyridine?
1-[(4-methoxypyrrolidin-2-yl)methyl]-5-methyl-3,6-dihydro-2H-pyridine has a molecular weight of 210.32 g/mol, XLogP of 1.02, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methoxypyrrolidin-2-yl)methyl]-5-methyl-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 106315003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).