2-[4-(methoxymethyl)piperidin-1-yl]benzonitrile

C14H18N2O — CID 23293075

IUPAC2-[4-(methoxymethyl)piperidin-1-yl]benzonitrile
SMILESCOCC1CCN(c2ccccc2C#N)CC1
InChIInChI=1S/C14H18N2O/c1-17-11-12-6-8-16(9-7-12)14-5-3-2-4-13(14)10-15/h2-5,12H,6-9,11H2,1H3
InChIKeyHYZMFRODLUBFSI-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.42
Rot. Bonds3

About 2-[4-(methoxymethyl)piperidin-1-yl]benzonitrile

2-[4-(methoxymethyl)piperidin-1-yl]benzonitrile (PubChem CID 23293075) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is 2-[4-(methoxymethyl)piperidin-1-yl]benzonitrile.

Molecular Properties

Compound Name2-[4-(methoxymethyl)piperidin-1-yl]benzonitrile
PubChem CID23293075
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name2-[4-(methoxymethyl)piperidin-1-yl]benzonitrile
SMILESCOCC1CCN(c2ccccc2C#N)CC1
InChIInChI=1S/C14H18N2O/c1-17-11-12-6-8-16(9-7-12)14-5-3-2-4-13(14)10-15/h2-5,12H,6-9,11H2,1H3
InChIKeyHYZMFRODLUBFSI-UHFFFAOYSA-N
XLogP2.42
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 ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-[4-(methoxymethyl)piperidin-1-yl]benzonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-fluoro-2-[4-(methoxymethyl)piperidin-1-yl]benzonitrile
CID 63978241
2-(4-butylpiperidin-1-yl)benzonitrile
CID 18726974
2-(4-methylpiperidin-1-yl)benzonitrile
CID 14931104
2-[4-(methoxymethyl)piperidin-1-yl]benzoic acid
CID 63971544
4-[4-(methoxymethyl)piperidin-1-yl]-2-methylbenzonitrile
CID 81282003
2-[(3R)-3-aminopyrrolidin-1-yl]benzonitrile
CID 94340791
N-[[2-[4-(methoxymethyl)piperidin-1-yl]phenyl]methyl]cyclopropanamine
CID 63972921
1-[2-[4-(methoxymethyl)piperidin-1-yl]phenyl]propan-1-amine
CID 112678164
2-amino-3-(4-ethylpiperidin-1-yl)benzonitrile
CID 104716432
2-(4-methylpiperazin-1-yl)benzonitrile
CID 13048190
2-[3-(methoxymethyl)pyrrolidin-1-yl]benzaldehyde
CID 64597755
1-[2-[4-(methoxymethyl)piperidin-1-yl]phenyl]butan-2-amine
CID 63980496

Frequently Asked Questions

What is the IUPAC name of 2-[4-(methoxymethyl)piperidin-1-yl]benzonitrile?
The IUPAC name of 2-[4-(methoxymethyl)piperidin-1-yl]benzonitrile (CID 23293075) is 2-[4-(methoxymethyl)piperidin-1-yl]benzonitrile.
What is the SMILES notation for 2-[4-(methoxymethyl)piperidin-1-yl]benzonitrile?
The canonical SMILES for 2-[4-(methoxymethyl)piperidin-1-yl]benzonitrile is COCC1CCN(c2ccccc2C#N)CC1.
What is the InChIKey of 2-[4-(methoxymethyl)piperidin-1-yl]benzonitrile?
The InChIKey is HYZMFRODLUBFSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c1-17-11-12-6-8-16(9-7-12)14-5-3-2-4-13(14)10-15/h2-5,12H,6-9,11H2,1H3.
What are the key properties of 2-[4-(methoxymethyl)piperidin-1-yl]benzonitrile?
2-[4-(methoxymethyl)piperidin-1-yl]benzonitrile has a molecular weight of 230.31 g/mol, XLogP of 2.42, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(methoxymethyl)piperidin-1-yl]benzonitrile is sourced from PubChem (CID 23293075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).