1-benzyl-4-(3-methylcyclobutyl)oxy-3,6-dihydro-2H-pyridine

C17H23NO — CID 159320689

IUPAC1-benzyl-4-(3-methylcyclobutyl)oxy-3,6-dihydro-2H-pyridine
SMILESCC1CC(OC2=CCN(Cc3ccccc3)CC2)C1
InChIInChI=1S/C17H23NO/c1-14-11-17(12-14)19-16-7-9-18(10-8-16)13-15-5-3-2-4-6-15/h2-7,14,17H,8-13H2,1H3
InChIKeyJVKAURCGLFUHHM-UHFFFAOYSA-N
MW257.38 g/mol
LogP3.59
Rot. Bonds4

About 1-benzyl-4-(3-methylcyclobutyl)oxy-3,6-dihydro-2H-pyridine

1-benzyl-4-(3-methylcyclobutyl)oxy-3,6-dihydro-2H-pyridine (PubChem CID 159320689) has the molecular formula C17H23NO and a molecular weight of 257.38 g/mol. Its IUPAC name is 1-benzyl-4-(3-methylcyclobutyl)oxy-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name1-benzyl-4-(3-methylcyclobutyl)oxy-3,6-dihydro-2H-pyridine
PubChem CID159320689
Molecular FormulaC17H23NO
Molecular Weight257.38 g/mol
Exact Mass257.18
IUPAC Name1-benzyl-4-(3-methylcyclobutyl)oxy-3,6-dihydro-2H-pyridine
SMILESCC1CC(OC2=CCN(Cc3ccccc3)CC2)C1
InChIInChI=1S/C17H23NO/c1-14-11-17(12-14)19-16-7-9-18(10-8-16)13-15-5-3-2-4-6-15/h2-7,14,17H,8-13H2,1H3
InChIKeyJVKAURCGLFUHHM-UHFFFAOYSA-N
XLogP3.59
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-benzyl-4-cyclopropyloxy-3,6-dihydro-2H-pyridine
CID 178156806
[3-[(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)oxy]cyclobutyl]methanol
CID 139530799
4-(azetidin-3-yloxy)-1-benzyl-3,6-dihydro-2H-pyridine
CID 146420453
1-benzyl-4-(1-methylpiperidin-3-yl)oxy-3,6-dihydro-2H-pyridine
CID 70920175
1-benzyl-4-(1-benzyl-1-methylpyrrolidin-1-ium-3-yl)oxy-3,6-dihydro-2H-pyridine
CID 58393111
1-benzyl-4-methoxy-3,6-dihydro-2H-pyridine;cyclobutylmethanol
CID 156719785
(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)methanamine
CID 10330491
1-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)ethanol
CID 19900296
1-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-5-methylpyrrolidin-2-one
CID 126526003
ethyl 1-benzyl-3,6-dihydro-2H-pyridine-4-carboxylate
CID 787906
2-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)ethanol;ethane
CID 143581792
(3-methylcyclobutyl)oxybenzene
CID 126670705

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-(3-methylcyclobutyl)oxy-3,6-dihydro-2H-pyridine?
The IUPAC name of 1-benzyl-4-(3-methylcyclobutyl)oxy-3,6-dihydro-2H-pyridine (CID 159320689) is 1-benzyl-4-(3-methylcyclobutyl)oxy-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 1-benzyl-4-(3-methylcyclobutyl)oxy-3,6-dihydro-2H-pyridine?
The canonical SMILES for 1-benzyl-4-(3-methylcyclobutyl)oxy-3,6-dihydro-2H-pyridine is CC1CC(OC2=CCN(Cc3ccccc3)CC2)C1.
What is the InChIKey of 1-benzyl-4-(3-methylcyclobutyl)oxy-3,6-dihydro-2H-pyridine?
The InChIKey is JVKAURCGLFUHHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO/c1-14-11-17(12-14)19-16-7-9-18(10-8-16)13-15-5-3-2-4-6-15/h2-7,14,17H,8-13H2,1H3.
What are the key properties of 1-benzyl-4-(3-methylcyclobutyl)oxy-3,6-dihydro-2H-pyridine?
1-benzyl-4-(3-methylcyclobutyl)oxy-3,6-dihydro-2H-pyridine has a molecular weight of 257.38 g/mol, XLogP of 3.59, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-(3-methylcyclobutyl)oxy-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 159320689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).