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

C17H25N3O — CID 106792788

IUPAC2-methoxy-4-[[2-[2-(methylamino)ethyl]piperidin-1-yl]methyl]benzonitrile
SMILESCNCCC1CCCCN1Cc1ccc(C#N)c(OC)c1
InChIInChI=1S/C17H25N3O/c1-19-9-8-16-5-3-4-10-20(16)13-14-6-7-15(12-18)17(11-14)21-2/h6-7,11,16,19H,3-5,8-10,13H2,1-2H3
InChIKeyNPPZYBDXUDBKAU-UHFFFAOYSA-N
MW287.41 g/mol
LogP2.53
Rot. Bonds6

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

2-methoxy-4-[[2-[2-(methylamino)ethyl]piperidin-1-yl]methyl]benzonitrile (PubChem CID 106792788) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is 2-methoxy-4-[[2-[2-(methylamino)ethyl]piperidin-1-yl]methyl]benzonitrile.

Molecular Properties

Compound Name2-methoxy-4-[[2-[2-(methylamino)ethyl]piperidin-1-yl]methyl]benzonitrile
PubChem CID106792788
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC Name2-methoxy-4-[[2-[2-(methylamino)ethyl]piperidin-1-yl]methyl]benzonitrile
SMILESCNCCC1CCCCN1Cc1ccc(C#N)c(OC)c1
InChIInChI=1S/C17H25N3O/c1-19-9-8-16-5-3-4-10-20(16)13-14-6-7-15(12-18)17(11-14)21-2/h6-7,11,16,19H,3-5,8-10,13H2,1-2H3
InChIKeyNPPZYBDXUDBKAU-UHFFFAOYSA-N
XLogP2.53
TPSA48.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methoxy-5-[(2-propylpiperidin-1-yl)methyl]benzonitrile
CID 83055995
2-methoxy-4-[[2-(2-oxopropyl)pyrrolidin-1-yl]methyl]benzonitrile
CID 106789234
5-[[2-(hydroxymethyl)azepan-1-yl]methyl]-2-methoxybenzonitrile
CID 116634766
1-[(4-cyano-3-methoxyphenyl)methyl]pyrrolidine-2-carboxylic acid
CID 106792477
2-methoxy-4-[[3-(methylamino)piperidin-1-yl]methyl]benzonitrile
CID 106792751
5-[(2-acetylpiperidin-1-yl)methyl]-2-methoxybenzonitrile
CID 65340072
1-[4-methoxy-3-[(2-propylpiperidin-1-yl)methyl]phenyl]-N-methylmethanamine
CID 83053445
2-methoxy-4-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]benzonitrile
CID 106788215
2-(chloromethyl)-1-[(3,4-dimethoxyphenyl)methyl]azepane
CID 116638601
4-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]-2-methoxybenzonitrile
CID 106788307
2-methoxy-4-[(2-propylpiperidin-1-yl)methyl]benzoic acid
CID 106793710
3-[(2R)-1-benzylpiperidin-2-yl]-N-methylpropan-1-amine
CID 97167936

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-[[2-[2-(methylamino)ethyl]piperidin-1-yl]methyl]benzonitrile?
The IUPAC name of 2-methoxy-4-[[2-[2-(methylamino)ethyl]piperidin-1-yl]methyl]benzonitrile (CID 106792788) is 2-methoxy-4-[[2-[2-(methylamino)ethyl]piperidin-1-yl]methyl]benzonitrile.
What is the SMILES notation for 2-methoxy-4-[[2-[2-(methylamino)ethyl]piperidin-1-yl]methyl]benzonitrile?
The canonical SMILES for 2-methoxy-4-[[2-[2-(methylamino)ethyl]piperidin-1-yl]methyl]benzonitrile is CNCCC1CCCCN1Cc1ccc(C#N)c(OC)c1.
What is the InChIKey of 2-methoxy-4-[[2-[2-(methylamino)ethyl]piperidin-1-yl]methyl]benzonitrile?
The InChIKey is NPPZYBDXUDBKAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-19-9-8-16-5-3-4-10-20(16)13-14-6-7-15(12-18)17(11-14)21-2/h6-7,11,16,19H,3-5,8-10,13H2,1-2H3.
What are the key properties of 2-methoxy-4-[[2-[2-(methylamino)ethyl]piperidin-1-yl]methyl]benzonitrile?
2-methoxy-4-[[2-[2-(methylamino)ethyl]piperidin-1-yl]methyl]benzonitrile has a molecular weight of 287.41 g/mol, XLogP of 2.53, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-[[2-[2-(methylamino)ethyl]piperidin-1-yl]methyl]benzonitrile is sourced from PubChem (CID 106792788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).