[3-[(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)oxy]cyclobutyl]methanol

C17H23NO2 — CID 139530799

IUPAC[3-[(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)oxy]cyclobutyl]methanol
SMILESOCC1CC(OC2=CCN(Cc3ccccc3)CC2)C1
InChIInChI=1S/C17H23NO2/c19-13-15-10-17(11-15)20-16-6-8-18(9-7-16)12-14-4-2-1-3-5-14/h1-6,15,17,19H,7-13H2
InChIKeyXJHWGMYDMIWUOA-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.56
Rot. Bonds5

About [3-[(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)oxy]cyclobutyl]methanol

[3-[(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)oxy]cyclobutyl]methanol (PubChem CID 139530799) has the molecular formula C17H23NO2 and a molecular weight of 273.38 g/mol. Its IUPAC name is [3-[(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)oxy]cyclobutyl]methanol.

Molecular Properties

Compound Name[3-[(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)oxy]cyclobutyl]methanol
PubChem CID139530799
Molecular FormulaC17H23NO2
Molecular Weight273.38 g/mol
Exact Mass273.17
IUPAC Name[3-[(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)oxy]cyclobutyl]methanol
SMILESOCC1CC(OC2=CCN(Cc3ccccc3)CC2)C1
InChIInChI=1S/C17H23NO2/c19-13-15-10-17(11-15)20-16-6-8-18(9-7-16)12-14-4-2-1-3-5-14/h1-6,15,17,19H,7-13H2
InChIKeyXJHWGMYDMIWUOA-UHFFFAOYSA-N
XLogP2.56
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzyl-4-(3-methylcyclobutyl)oxy-3,6-dihydro-2H-pyridine
CID 159320689
1-benzyl-4-cyclopropyloxy-3,6-dihydro-2H-pyridine
CID 178156806
4-(azetidin-3-yloxy)-1-benzyl-3,6-dihydro-2H-pyridine
CID 146420453
1-benzyl-4-methoxy-3,6-dihydro-2H-pyridine;cyclobutylmethanol
CID 156719785
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
2-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)ethanol;ethane
CID 143581792
[(1R,5R)-8-benzyl-8-azabicyclo[3.2.1]octan-3-yl]methanol
CID 98113722
(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)methanamine
CID 10330491
(1-benzylpyrrolidin-3-yl)methanol;hydrochloride
CID 75485238
1-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)ethanol
CID 19900296
ethyl 1-benzyl-3,6-dihydro-2H-pyridine-4-carboxylate
CID 787906

Frequently Asked Questions

What is the IUPAC name of [3-[(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)oxy]cyclobutyl]methanol?
The IUPAC name of [3-[(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)oxy]cyclobutyl]methanol (CID 139530799) is [3-[(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)oxy]cyclobutyl]methanol.
What is the SMILES notation for [3-[(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)oxy]cyclobutyl]methanol?
The canonical SMILES for [3-[(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)oxy]cyclobutyl]methanol is OCC1CC(OC2=CCN(Cc3ccccc3)CC2)C1.
What is the InChIKey of [3-[(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)oxy]cyclobutyl]methanol?
The InChIKey is XJHWGMYDMIWUOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO2/c19-13-15-10-17(11-15)20-16-6-8-18(9-7-16)12-14-4-2-1-3-5-14/h1-6,15,17,19H,7-13H2.
What are the key properties of [3-[(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)oxy]cyclobutyl]methanol?
[3-[(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)oxy]cyclobutyl]methanol has a molecular weight of 273.38 g/mol, XLogP of 2.56, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)oxy]cyclobutyl]methanol is sourced from PubChem (CID 139530799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).