4-[(1-benzylazetidin-3-yl)methoxy]benzonitrile

C18H18N2O — CID 141369171

IUPAC4-[(1-benzylazetidin-3-yl)methoxy]benzonitrile
SMILESN#Cc1ccc(OCC2CN(Cc3ccccc3)C2)cc1
InChIInChI=1S/C18H18N2O/c19-10-15-6-8-18(9-7-15)21-14-17-12-20(13-17)11-16-4-2-1-3-5-16/h1-9,17H,11-14H2
InChIKeyQUGXWANUQLBUEI-UHFFFAOYSA-N
MW278.36 g/mol
LogP3.07
Rot. Bonds5

About 4-[(1-benzylazetidin-3-yl)methoxy]benzonitrile

4-[(1-benzylazetidin-3-yl)methoxy]benzonitrile (PubChem CID 141369171) has the molecular formula C18H18N2O and a molecular weight of 278.36 g/mol. Its IUPAC name is 4-[(1-benzylazetidin-3-yl)methoxy]benzonitrile.

Molecular Properties

Compound Name4-[(1-benzylazetidin-3-yl)methoxy]benzonitrile
PubChem CID141369171
Molecular FormulaC18H18N2O
Molecular Weight278.36 g/mol
Exact Mass278.14
IUPAC Name4-[(1-benzylazetidin-3-yl)methoxy]benzonitrile
SMILESN#Cc1ccc(OCC2CN(Cc3ccccc3)C2)cc1
InChIInChI=1S/C18H18N2O/c19-10-15-6-8-18(9-7-15)21-14-17-12-20(13-17)11-16-4-2-1-3-5-16/h1-9,17H,11-14H2
InChIKeyQUGXWANUQLBUEI-UHFFFAOYSA-N
XLogP3.07
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(1-benzylpyrrolidin-3-yl)oxybenzonitrile
CID 62917204
1-benzyl-4-(phenoxymethyl)piperidine
CID 18919890
1-benzyl-4-(4-cyanophenyl)pyrrolidine-3-carboxylic acid
CID 75217583
4-[[4-benzyl-1-(3-propan-2-ylphenyl)piperazin-2-yl]methoxy]benzonitrile
CID 67087168
6-[[(6R)-8-benzyl-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-6-yl]methoxy]pyridine-3-carbonitrile
CID 97477938
1-benzylazetidine-3-carbonitrile
CID 19814762
4-(1-benzylpiperidin-4-yl)benzonitrile
CID 70029902
4-(1,4-dibenzylpiperazin-2-yl)benzonitrile
CID 77150858
4-[1-benzyl-4-(1-hydroxyethyl)pyrrolidin-3-yl]benzonitrile
CID 66999687
4-[[(2R)-4-benzylpiperazin-2-yl]methyl]benzonitrile
CID 59325125
N-[(4-benzylmorpholin-2-yl)methyl]-2-(4-cyanophenoxy)acetamide
CID 24546062
4-(piperidin-4-ylmethoxy)benzonitrile
CID 10560682

Frequently Asked Questions

What is the IUPAC name of 4-[(1-benzylazetidin-3-yl)methoxy]benzonitrile?
The IUPAC name of 4-[(1-benzylazetidin-3-yl)methoxy]benzonitrile (CID 141369171) is 4-[(1-benzylazetidin-3-yl)methoxy]benzonitrile.
What is the SMILES notation for 4-[(1-benzylazetidin-3-yl)methoxy]benzonitrile?
The canonical SMILES for 4-[(1-benzylazetidin-3-yl)methoxy]benzonitrile is N#Cc1ccc(OCC2CN(Cc3ccccc3)C2)cc1.
What is the InChIKey of 4-[(1-benzylazetidin-3-yl)methoxy]benzonitrile?
The InChIKey is QUGXWANUQLBUEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O/c19-10-15-6-8-18(9-7-15)21-14-17-12-20(13-17)11-16-4-2-1-3-5-16/h1-9,17H,11-14H2.
What are the key properties of 4-[(1-benzylazetidin-3-yl)methoxy]benzonitrile?
4-[(1-benzylazetidin-3-yl)methoxy]benzonitrile has a molecular weight of 278.36 g/mol, XLogP of 3.07, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-benzylazetidin-3-yl)methoxy]benzonitrile is sourced from PubChem (CID 141369171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).