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

C14H18N2O — CID 68710696

IUPAC3-[(1-methylpiperidin-4-yl)methoxy]benzonitrile
SMILESCN1CCC(COc2cccc(C#N)c2)CC1
InChIInChI=1S/C14H18N2O/c1-16-7-5-12(6-8-16)11-17-14-4-2-3-13(9-14)10-15/h2-4,9,12H,5-8,11H2,1H3
InChIKeyGBMWPMSERUMSPB-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.28
Rot. Bonds3

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

3-[(1-methylpiperidin-4-yl)methoxy]benzonitrile (PubChem CID 68710696) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is 3-[(1-methylpiperidin-4-yl)methoxy]benzonitrile.

Molecular Properties

Compound Name3-[(1-methylpiperidin-4-yl)methoxy]benzonitrile
PubChem CID68710696
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name3-[(1-methylpiperidin-4-yl)methoxy]benzonitrile
SMILESCN1CCC(COc2cccc(C#N)c2)CC1
InChIInChI=1S/C14H18N2O/c1-16-7-5-12(6-8-16)11-17-14-4-2-3-13(9-14)10-15/h2-4,9,12H,5-8,11H2,1H3
InChIKeyGBMWPMSERUMSPB-UHFFFAOYSA-N
XLogP2.28
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-[methyl-(1-methylpiperidin-4-yl)amino]ethoxy]benzonitrile
CID 43288713
1-methyl-4-[(4-methylphenoxy)methyl]piperidine
CID 123249578
3-[[(3S)-piperidin-3-yl]methoxy]benzonitrile
CID 93481139
3-[2-hydroxy-3-[(1-methylpyrrolidin-3-yl)amino]propoxy]benzonitrile
CID 61462137
3-[2-(4-propan-2-ylpiperidin-1-yl)ethoxy]benzonitrile
CID 103714071
3-[1-[[3-[5-[(1-methylpiperidin-4-yl)methoxy]pyrimidin-2-yl]phenyl]methyl]-6-oxopyridazin-3-yl]benzonitrile
CID 25171648
3-[2-(cyclohexylmethoxy)ethoxy]benzonitrile
CID 62381700
3-[2-(4-propylpiperazin-1-yl)ethoxy]benzonitrile
CID 43288798
3-[2-(2,3-dimethylpiperidin-1-yl)ethoxy]benzonitrile
CID 62123204
1-methylpiperidin-3-ol;3-(1-methylpiperidin-3-yl)oxybenzonitrile
CID 69045352
1-(3-cyanophenyl)-3-[(1-methylpiperidin-4-yl)methyl]urea
CID 51106201
3-[3-(2,3-dimethylpiperidin-1-yl)propoxy]benzonitrile
CID 62123740

Frequently Asked Questions

What is the IUPAC name of 3-[(1-methylpiperidin-4-yl)methoxy]benzonitrile?
The IUPAC name of 3-[(1-methylpiperidin-4-yl)methoxy]benzonitrile (CID 68710696) is 3-[(1-methylpiperidin-4-yl)methoxy]benzonitrile.
What is the SMILES notation for 3-[(1-methylpiperidin-4-yl)methoxy]benzonitrile?
The canonical SMILES for 3-[(1-methylpiperidin-4-yl)methoxy]benzonitrile is CN1CCC(COc2cccc(C#N)c2)CC1.
What is the InChIKey of 3-[(1-methylpiperidin-4-yl)methoxy]benzonitrile?
The InChIKey is GBMWPMSERUMSPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c1-16-7-5-12(6-8-16)11-17-14-4-2-3-13(9-14)10-15/h2-4,9,12H,5-8,11H2,1H3.
What are the key properties of 3-[(1-methylpiperidin-4-yl)methoxy]benzonitrile?
3-[(1-methylpiperidin-4-yl)methoxy]benzonitrile has a molecular weight of 230.31 g/mol, XLogP of 2.28, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-methylpiperidin-4-yl)methoxy]benzonitrile is sourced from PubChem (CID 68710696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).