2-methoxy-4-[[3-(methylamino)piperidin-1-yl]methyl]benzonitrile

C15H21N3O — CID 106792751

IUPAC2-methoxy-4-[[3-(methylamino)piperidin-1-yl]methyl]benzonitrile
SMILESCNC1CCCN(Cc2ccc(C#N)c(OC)c2)C1
InChIInChI=1S/C15H21N3O/c1-17-14-4-3-7-18(11-14)10-12-5-6-13(9-16)15(8-12)19-2/h5-6,8,14,17H,3-4,7,10-11H2,1-2H3
InChIKeyXILOWYPWWLVGJQ-UHFFFAOYSA-N
MW259.35 g/mol
LogP1.75
Rot. Bonds4

About 2-methoxy-4-[[3-(methylamino)piperidin-1-yl]methyl]benzonitrile

2-methoxy-4-[[3-(methylamino)piperidin-1-yl]methyl]benzonitrile (PubChem CID 106792751) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 2-methoxy-4-[[3-(methylamino)piperidin-1-yl]methyl]benzonitrile.

Molecular Properties

Compound Name2-methoxy-4-[[3-(methylamino)piperidin-1-yl]methyl]benzonitrile
PubChem CID106792751
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name2-methoxy-4-[[3-(methylamino)piperidin-1-yl]methyl]benzonitrile
SMILESCNC1CCCN(Cc2ccc(C#N)c(OC)c2)C1
InChIInChI=1S/C15H21N3O/c1-17-14-4-3-7-18(11-14)10-12-5-6-13(9-16)15(8-12)19-2/h5-6,8,14,17H,3-4,7,10-11H2,1-2H3
InChIKeyXILOWYPWWLVGJQ-UHFFFAOYSA-N
XLogP1.75
TPSA48.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methoxy-5-[[3-(methylamino)piperidin-1-yl]methyl]benzonitrile
CID 65341117
4-[(3-aminopyrrolidin-1-yl)methyl]-2-methoxybenzonitrile
CID 106792748
2-methoxy-4-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]benzonitrile
CID 106788215
4-[[3-(diethylamino)pyrrolidin-1-yl]methyl]-2-methoxybenzonitrile
CID 106788214
1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-N-methylpiperidin-3-amine;hydrochloride
CID 120913068
4-[(4-amino-3-ethylpiperidin-1-yl)methyl]-2-methoxybenzonitrile
CID 106792832
2-methoxy-5-(piperidin-1-ylmethyl)benzonitrile
CID 65343965
2-methoxy-4-[(3-methoxy-3-methylpiperidin-1-yl)methyl]benzonitrile
CID 107392633
2-methoxy-4-[(4-methyl-3-oxo-1,4-diazepan-1-yl)methyl]benzonitrile
CID 106788353
4-[(4-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)methyl]-2-methoxybenzonitrile
CID 106788312
4-[[4-(2-hydroxyethoxy)piperidin-1-yl]methyl]-2-methoxybenzonitrile
CID 106788298
1-[(4-cyano-3-methoxyphenyl)methyl]pyrrolidine-2-carboxylic acid
CID 106792477

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-[[3-(methylamino)piperidin-1-yl]methyl]benzonitrile?
The IUPAC name of 2-methoxy-4-[[3-(methylamino)piperidin-1-yl]methyl]benzonitrile (CID 106792751) is 2-methoxy-4-[[3-(methylamino)piperidin-1-yl]methyl]benzonitrile.
What is the SMILES notation for 2-methoxy-4-[[3-(methylamino)piperidin-1-yl]methyl]benzonitrile?
The canonical SMILES for 2-methoxy-4-[[3-(methylamino)piperidin-1-yl]methyl]benzonitrile is CNC1CCCN(Cc2ccc(C#N)c(OC)c2)C1.
What is the InChIKey of 2-methoxy-4-[[3-(methylamino)piperidin-1-yl]methyl]benzonitrile?
The InChIKey is XILOWYPWWLVGJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-17-14-4-3-7-18(11-14)10-12-5-6-13(9-16)15(8-12)19-2/h5-6,8,14,17H,3-4,7,10-11H2,1-2H3.
What are the key properties of 2-methoxy-4-[[3-(methylamino)piperidin-1-yl]methyl]benzonitrile?
2-methoxy-4-[[3-(methylamino)piperidin-1-yl]methyl]benzonitrile has a molecular weight of 259.35 g/mol, XLogP of 1.75, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-[[3-(methylamino)piperidin-1-yl]methyl]benzonitrile is sourced from PubChem (CID 106792751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).