2-methoxy-5-(piperidin-1-ylmethyl)benzonitrile

C14H18N2O — CID 65343965

IUPAC2-methoxy-5-(piperidin-1-ylmethyl)benzonitrile
SMILESCOc1ccc(CN2CCCCC2)cc1C#N
InChIInChI=1S/C14H18N2O/c1-17-14-6-5-12(9-13(14)10-15)11-16-7-3-2-4-8-16/h5-6,9H,2-4,7-8,11H2,1H3
InChIKeyOMMZDPUQIXCIJK-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.55
Rot. Bonds3

About 2-methoxy-5-(piperidin-1-ylmethyl)benzonitrile

2-methoxy-5-(piperidin-1-ylmethyl)benzonitrile (PubChem CID 65343965) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is 2-methoxy-5-(piperidin-1-ylmethyl)benzonitrile.

Molecular Properties

Compound Name2-methoxy-5-(piperidin-1-ylmethyl)benzonitrile
PubChem CID65343965
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name2-methoxy-5-(piperidin-1-ylmethyl)benzonitrile
SMILESCOc1ccc(CN2CCCCC2)cc1C#N
InChIInChI=1S/C14H18N2O/c1-17-14-6-5-12(9-13(14)10-15)11-16-7-3-2-4-8-16/h5-6,9H,2-4,7-8,11H2,1H3
InChIKeyOMMZDPUQIXCIJK-UHFFFAOYSA-N
XLogP2.55
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 ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-2-methoxybenzonitrile
CID 65344017
2-methoxy-5-[[3-(methylamino)piperidin-1-yl]methyl]benzonitrile
CID 65341117
2-methoxy-5-[(4-propylpiperidin-1-yl)methyl]benzonitrile
CID 65343978
2-methoxy-5-[[4-(oxan-4-yl)piperidin-1-yl]methyl]benzonitrile
CID 84589683
2-methoxy-5-[(5-oxo-1,4-diazepan-1-yl)methyl]benzonitrile
CID 65344217
5-[[2-(hydroxymethyl)azepan-1-yl]methyl]-2-methoxybenzonitrile
CID 116634766
2-amino-5-(piperidin-1-ylmethyl)benzonitrile
CID 123661716
2-methoxy-5-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)benzonitrile
CID 66392107
5-[(2,2-dimethylmorpholin-4-yl)methyl]-2-methoxybenzonitrile
CID 65344066
2-methoxy-5-[(2-propylpiperidin-1-yl)methyl]benzonitrile
CID 83055995
5-[(2-acetylpiperidin-1-yl)methyl]-2-methoxybenzonitrile
CID 65340072
5-[[2-(aminomethyl)morpholin-4-yl]methyl]-2-methoxybenzonitrile
CID 114397814

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-(piperidin-1-ylmethyl)benzonitrile?
The IUPAC name of 2-methoxy-5-(piperidin-1-ylmethyl)benzonitrile (CID 65343965) is 2-methoxy-5-(piperidin-1-ylmethyl)benzonitrile.
What is the SMILES notation for 2-methoxy-5-(piperidin-1-ylmethyl)benzonitrile?
The canonical SMILES for 2-methoxy-5-(piperidin-1-ylmethyl)benzonitrile is COc1ccc(CN2CCCCC2)cc1C#N.
What is the InChIKey of 2-methoxy-5-(piperidin-1-ylmethyl)benzonitrile?
The InChIKey is OMMZDPUQIXCIJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c1-17-14-6-5-12(9-13(14)10-15)11-16-7-3-2-4-8-16/h5-6,9H,2-4,7-8,11H2,1H3.
What are the key properties of 2-methoxy-5-(piperidin-1-ylmethyl)benzonitrile?
2-methoxy-5-(piperidin-1-ylmethyl)benzonitrile has a molecular weight of 230.31 g/mol, XLogP of 2.55, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-(piperidin-1-ylmethyl)benzonitrile is sourced from PubChem (CID 65343965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).