2-methoxy-5-[(4-propylpiperidin-1-yl)methyl]benzonitrile

C17H24N2O — CID 65343978

IUPAC2-methoxy-5-[(4-propylpiperidin-1-yl)methyl]benzonitrile
SMILESCCCC1CCN(Cc2ccc(OC)c(C#N)c2)CC1
InChIInChI=1S/C17H24N2O/c1-3-4-14-7-9-19(10-8-14)13-15-5-6-17(20-2)16(11-15)12-18/h5-6,11,14H,3-4,7-10,13H2,1-2H3
InChIKeyOKYDWNOCZPQQID-UHFFFAOYSA-N
MW272.39 g/mol
LogP3.58
Rot. Bonds5

About 2-methoxy-5-[(4-propylpiperidin-1-yl)methyl]benzonitrile

2-methoxy-5-[(4-propylpiperidin-1-yl)methyl]benzonitrile (PubChem CID 65343978) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is 2-methoxy-5-[(4-propylpiperidin-1-yl)methyl]benzonitrile.

Molecular Properties

Compound Name2-methoxy-5-[(4-propylpiperidin-1-yl)methyl]benzonitrile
PubChem CID65343978
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC Name2-methoxy-5-[(4-propylpiperidin-1-yl)methyl]benzonitrile
SMILESCCCC1CCN(Cc2ccc(OC)c(C#N)c2)CC1
InChIInChI=1S/C17H24N2O/c1-3-4-14-7-9-19(10-8-14)13-15-5-6-17(20-2)16(11-15)12-18/h5-6,11,14H,3-4,7-10,13H2,1-2H3
InChIKeyOKYDWNOCZPQQID-UHFFFAOYSA-N
XLogP3.58
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 ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-methoxy-5-(piperidin-1-ylmethyl)benzonitrile
CID 65343965
2-methoxy-5-[[4-(oxan-4-yl)piperidin-1-yl]methyl]benzonitrile
CID 84589683
2-methoxy-5-[(2-propylpiperidin-1-yl)methyl]benzonitrile
CID 83055995
2-methoxy-5-[(4-propylazepan-1-yl)methyl]phenol
CID 82980525
5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-2-methoxybenzonitrile
CID 65344017
[2-methoxy-5-[(4-propylazepan-1-yl)methyl]phenyl]methanamine
CID 65338957
1-[(3-bromo-4-methoxyphenyl)methyl]-3-propylpyrrolidine
CID 112695958
2-methoxy-5-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)benzonitrile
CID 66392107
4-[(3-aminopyrrolidin-1-yl)methyl]-2-methoxybenzonitrile
CID 106792748
2-methoxy-5-[[3-(methylamino)piperidin-1-yl]methyl]benzonitrile
CID 65341117
5-[(2,5-dioxo-4-propylimidazolidin-1-yl)methyl]-2-methoxybenzonitrile
CID 65344315
4-[(4-amino-3-ethylpiperidin-1-yl)methyl]-2-methoxybenzonitrile
CID 106792832

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-[(4-propylpiperidin-1-yl)methyl]benzonitrile?
The IUPAC name of 2-methoxy-5-[(4-propylpiperidin-1-yl)methyl]benzonitrile (CID 65343978) is 2-methoxy-5-[(4-propylpiperidin-1-yl)methyl]benzonitrile.
What is the SMILES notation for 2-methoxy-5-[(4-propylpiperidin-1-yl)methyl]benzonitrile?
The canonical SMILES for 2-methoxy-5-[(4-propylpiperidin-1-yl)methyl]benzonitrile is CCCC1CCN(Cc2ccc(OC)c(C#N)c2)CC1.
What is the InChIKey of 2-methoxy-5-[(4-propylpiperidin-1-yl)methyl]benzonitrile?
The InChIKey is OKYDWNOCZPQQID-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c1-3-4-14-7-9-19(10-8-14)13-15-5-6-17(20-2)16(11-15)12-18/h5-6,11,14H,3-4,7-10,13H2,1-2H3.
What are the key properties of 2-methoxy-5-[(4-propylpiperidin-1-yl)methyl]benzonitrile?
2-methoxy-5-[(4-propylpiperidin-1-yl)methyl]benzonitrile has a molecular weight of 272.39 g/mol, XLogP of 3.58, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-[(4-propylpiperidin-1-yl)methyl]benzonitrile is sourced from PubChem (CID 65343978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).