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

C15H20N2O — CID 81282003

IUPAC4-[4-(methoxymethyl)piperidin-1-yl]-2-methylbenzonitrile
SMILESCOCC1CCN(c2ccc(C#N)c(C)c2)CC1
InChIInChI=1S/C15H20N2O/c1-12-9-15(4-3-14(12)10-16)17-7-5-13(6-8-17)11-18-2/h3-4,9,13H,5-8,11H2,1-2H3
InChIKeyCQPSUCYCBZCVCF-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.73
Rot. Bonds3

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

4-[4-(methoxymethyl)piperidin-1-yl]-2-methylbenzonitrile (PubChem CID 81282003) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is 4-[4-(methoxymethyl)piperidin-1-yl]-2-methylbenzonitrile.

Molecular Properties

Compound Name4-[4-(methoxymethyl)piperidin-1-yl]-2-methylbenzonitrile
PubChem CID81282003
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name4-[4-(methoxymethyl)piperidin-1-yl]-2-methylbenzonitrile
SMILESCOCC1CCN(c2ccc(C#N)c(C)c2)CC1
InChIInChI=1S/C15H20N2O/c1-12-9-15(4-3-14(12)10-16)17-7-5-13(6-8-17)11-18-2/h3-4,9,13H,5-8,11H2,1-2H3
InChIKeyCQPSUCYCBZCVCF-UHFFFAOYSA-N
XLogP2.73
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-4-(4-propylazepan-1-yl)benzonitrile
CID 81282500
4-[4-(dimethylamino)piperidin-1-yl]-2-methylbenzonitrile
CID 79019302
5-[4-(methoxymethyl)piperidin-1-yl]-2-nitrobenzonitrile
CID 115349384
4-(azetidin-1-yl)-2-methylbenzonitrile
CID 126980528
4-(azocan-1-yl)-2-methylbenzonitrile
CID 79019375
2-methyl-4-(4-piperidin-1-ylpiperidin-1-yl)benzonitrile
CID 79018586
2-[4-(methoxymethyl)piperidin-1-yl]benzonitrile
CID 23293075
N'-hydroxy-4-[4-(methoxymethyl)piperidin-1-yl]-2-methylbenzenecarboximidamide
CID 81278035
5-fluoro-2-[4-(methoxymethyl)piperidin-1-yl]benzonitrile
CID 63978241
2-methyl-4-(4-oxopiperidin-1-yl)benzonitrile
CID 79019443
3-[4-[4-(methoxymethyl)piperidin-1-yl]-2-methylphenyl]prop-2-enoic acid
CID 76997447
4-(4-ethyl-4-methylpiperidin-1-yl)-2-methylbenzonitrile
CID 81282498

Frequently Asked Questions

What is the IUPAC name of 4-[4-(methoxymethyl)piperidin-1-yl]-2-methylbenzonitrile?
The IUPAC name of 4-[4-(methoxymethyl)piperidin-1-yl]-2-methylbenzonitrile (CID 81282003) is 4-[4-(methoxymethyl)piperidin-1-yl]-2-methylbenzonitrile.
What is the SMILES notation for 4-[4-(methoxymethyl)piperidin-1-yl]-2-methylbenzonitrile?
The canonical SMILES for 4-[4-(methoxymethyl)piperidin-1-yl]-2-methylbenzonitrile is COCC1CCN(c2ccc(C#N)c(C)c2)CC1.
What is the InChIKey of 4-[4-(methoxymethyl)piperidin-1-yl]-2-methylbenzonitrile?
The InChIKey is CQPSUCYCBZCVCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-12-9-15(4-3-14(12)10-16)17-7-5-13(6-8-17)11-18-2/h3-4,9,13H,5-8,11H2,1-2H3.
What are the key properties of 4-[4-(methoxymethyl)piperidin-1-yl]-2-methylbenzonitrile?
4-[4-(methoxymethyl)piperidin-1-yl]-2-methylbenzonitrile has a molecular weight of 244.34 g/mol, XLogP of 2.73, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(methoxymethyl)piperidin-1-yl]-2-methylbenzonitrile is sourced from PubChem (CID 81282003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).