2-methoxy-5-[(2-propylpiperidin-1-yl)methyl]benzonitrile

C17H24N2O — CID 83055995

IUPAC2-methoxy-5-[(2-propylpiperidin-1-yl)methyl]benzonitrile
SMILESCCCC1CCCCN1Cc1ccc(OC)c(C#N)c1
InChIInChI=1S/C17H24N2O/c1-3-6-16-7-4-5-10-19(16)13-14-8-9-17(20-2)15(11-14)12-18/h8-9,11,16H,3-7,10,13H2,1-2H3
InChIKeyCOOBLKDRBJVQFD-UHFFFAOYSA-N
MW272.39 g/mol
LogP3.72
Rot. Bonds5

About 2-methoxy-5-[(2-propylpiperidin-1-yl)methyl]benzonitrile

2-methoxy-5-[(2-propylpiperidin-1-yl)methyl]benzonitrile (PubChem CID 83055995) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is 2-methoxy-5-[(2-propylpiperidin-1-yl)methyl]benzonitrile.

Molecular Properties

Compound Name2-methoxy-5-[(2-propylpiperidin-1-yl)methyl]benzonitrile
PubChem CID83055995
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC Name2-methoxy-5-[(2-propylpiperidin-1-yl)methyl]benzonitrile
SMILESCCCC1CCCCN1Cc1ccc(OC)c(C#N)c1
InChIInChI=1S/C17H24N2O/c1-3-6-16-7-4-5-10-19(16)13-14-8-9-17(20-2)15(11-14)12-18/h8-9,11,16H,3-7,10,13H2,1-2H3
InChIKeyCOOBLKDRBJVQFD-UHFFFAOYSA-N
XLogP3.72
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-[[2-(hydroxymethyl)azepan-1-yl]methyl]-2-methoxybenzonitrile
CID 116634766
2-methoxy-4-[[2-[2-(methylamino)ethyl]piperidin-1-yl]methyl]benzonitrile
CID 106792788
2-methoxy-5-[(2-propylpiperidin-1-yl)methyl]benzenecarbothioamide
CID 83046047
5-[(2-acetylpiperidin-1-yl)methyl]-2-methoxybenzonitrile
CID 65340072
2-methoxy-5-[(4-propylpiperidin-1-yl)methyl]benzonitrile
CID 65343978
2-methoxy-4-[(2-propylpiperidin-1-yl)methyl]benzoic acid
CID 106793710
1-[4-methoxy-3-[(2-propylpiperidin-1-yl)methyl]phenyl]-N-methylmethanamine
CID 83053445
2-methoxy-5-(piperidin-1-ylmethyl)benzonitrile
CID 65343965
5-[(3-ethylmorpholin-4-yl)methyl]-2-methoxybenzonitrile
CID 65344113
ethyl 1-[(3-cyano-4-methoxyphenyl)methyl]pyrrolidine-2-carboxylate
CID 65344470
2-methoxy-4-[[2-(2-oxopropyl)pyrrolidin-1-yl]methyl]benzonitrile
CID 106789234
5-[(2,4-dimethylpiperidin-1-yl)methyl]-2-methoxybenzonitrile
CID 65344025

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-[(2-propylpiperidin-1-yl)methyl]benzonitrile?
The IUPAC name of 2-methoxy-5-[(2-propylpiperidin-1-yl)methyl]benzonitrile (CID 83055995) is 2-methoxy-5-[(2-propylpiperidin-1-yl)methyl]benzonitrile.
What is the SMILES notation for 2-methoxy-5-[(2-propylpiperidin-1-yl)methyl]benzonitrile?
The canonical SMILES for 2-methoxy-5-[(2-propylpiperidin-1-yl)methyl]benzonitrile is CCCC1CCCCN1Cc1ccc(OC)c(C#N)c1.
What is the InChIKey of 2-methoxy-5-[(2-propylpiperidin-1-yl)methyl]benzonitrile?
The InChIKey is COOBLKDRBJVQFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c1-3-6-16-7-4-5-10-19(16)13-14-8-9-17(20-2)15(11-14)12-18/h8-9,11,16H,3-7,10,13H2,1-2H3.
What are the key properties of 2-methoxy-5-[(2-propylpiperidin-1-yl)methyl]benzonitrile?
2-methoxy-5-[(2-propylpiperidin-1-yl)methyl]benzonitrile has a molecular weight of 272.39 g/mol, XLogP of 3.72, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-[(2-propylpiperidin-1-yl)methyl]benzonitrile is sourced from PubChem (CID 83055995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).