1-benzyl-4-methoxy-3,6-dihydro-2H-pyridine;cyclobutylmethanol

C18H27NO2 — CID 156719785

IUPAC1-benzyl-4-methoxy-3,6-dihydro-2H-pyridine;cyclobutylmethanol
SMILESCOC1=CCN(Cc2ccccc2)CC1.OCC1CCC1
InChIInChI=1S/C13H17NO.C5H10O/c1-15-13-7-9-14(10-8-13)11-12-5-3-2-4-6-12;6-4-5-2-1-3-5/h2-7H,8-11H2,1H3;5-6H,1-4H2
InChIKeyWVBXLMWCYNRFKC-UHFFFAOYSA-N
MW289.42 g/mol
LogP3.20
Rot. Bonds4

About 1-benzyl-4-methoxy-3,6-dihydro-2H-pyridine;cyclobutylmethanol

1-benzyl-4-methoxy-3,6-dihydro-2H-pyridine;cyclobutylmethanol (PubChem CID 156719785) has the molecular formula C18H27NO2 and a molecular weight of 289.42 g/mol. Its IUPAC name is 1-benzyl-4-methoxy-3,6-dihydro-2H-pyridine;cyclobutylmethanol.

Molecular Properties

Compound Name1-benzyl-4-methoxy-3,6-dihydro-2H-pyridine;cyclobutylmethanol
PubChem CID156719785
Molecular FormulaC18H27NO2
Molecular Weight289.42 g/mol
Exact Mass289.20
IUPAC Name1-benzyl-4-methoxy-3,6-dihydro-2H-pyridine;cyclobutylmethanol
SMILESCOC1=CCN(Cc2ccccc2)CC1.OCC1CCC1
InChIInChI=1S/C13H17NO.C5H10O/c1-15-13-7-9-14(10-8-13)11-12-5-3-2-4-6-12;6-4-5-2-1-3-5/h2-7H,8-11H2,1H3;5-6H,1-4H2
InChIKeyWVBXLMWCYNRFKC-UHFFFAOYSA-N
XLogP3.20
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-methoxy-3,6-dihydro-2H-pyridine;cyclobutylmethanol?
The IUPAC name of 1-benzyl-4-methoxy-3,6-dihydro-2H-pyridine;cyclobutylmethanol (CID 156719785) is 1-benzyl-4-methoxy-3,6-dihydro-2H-pyridine;cyclobutylmethanol.
What is the SMILES notation for 1-benzyl-4-methoxy-3,6-dihydro-2H-pyridine;cyclobutylmethanol?
The canonical SMILES for 1-benzyl-4-methoxy-3,6-dihydro-2H-pyridine;cyclobutylmethanol is COC1=CCN(Cc2ccccc2)CC1.OCC1CCC1.
What is the InChIKey of 1-benzyl-4-methoxy-3,6-dihydro-2H-pyridine;cyclobutylmethanol?
The InChIKey is WVBXLMWCYNRFKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO.C5H10O/c1-15-13-7-9-14(10-8-13)11-12-5-3-2-4-6-12;6-4-5-2-1-3-5/h2-7H,8-11H2,1H3;5-6H,1-4H2.
What are the key properties of 1-benzyl-4-methoxy-3,6-dihydro-2H-pyridine;cyclobutylmethanol?
1-benzyl-4-methoxy-3,6-dihydro-2H-pyridine;cyclobutylmethanol has a molecular weight of 289.42 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-methoxy-3,6-dihydro-2H-pyridine;cyclobutylmethanol is sourced from PubChem (CID 156719785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).