4-methyl-3-(4-methylpiperidin-1-yl)benzonitrile

C14H18N2 — CID 79686652

IUPAC4-methyl-3-(4-methylpiperidin-1-yl)benzonitrile
SMILESCc1ccc(C#N)cc1N1CCC(C)CC1
InChIInChI=1S/C14H18N2/c1-11-5-7-16(8-6-11)14-9-13(10-15)4-3-12(14)2/h3-4,9,11H,5-8H2,1-2H3
InChIKeyGJDLYIRHNANBFL-UHFFFAOYSA-N
MW214.31 g/mol
LogP3.10
Rot. Bonds1

About 4-methyl-3-(4-methylpiperidin-1-yl)benzonitrile

4-methyl-3-(4-methylpiperidin-1-yl)benzonitrile (PubChem CID 79686652) has the molecular formula C14H18N2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 4-methyl-3-(4-methylpiperidin-1-yl)benzonitrile.

Molecular Properties

Compound Name4-methyl-3-(4-methylpiperidin-1-yl)benzonitrile
PubChem CID79686652
Molecular FormulaC14H18N2
Molecular Weight214.31 g/mol
Exact Mass214.15
IUPAC Name4-methyl-3-(4-methylpiperidin-1-yl)benzonitrile
SMILESCc1ccc(C#N)cc1N1CCC(C)CC1
InChIInChI=1S/C14H18N2/c1-11-5-7-16(8-6-11)14-9-13(10-15)4-3-12(14)2/h3-4,9,11H,5-8H2,1-2H3
InChIKeyGJDLYIRHNANBFL-UHFFFAOYSA-N
XLogP3.10
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-methoxy-4-(4-methylpiperidin-1-yl)benzonitrile
CID 113460391
3-(2,5-dihydropyrrol-1-yl)-4-methylbenzonitrile
CID 79686863
4-(4-methylpiperidin-1-yl)benzonitrile
CID 3152080
4-(4-methoxypiperidin-1-yl)-3-methylbenzonitrile
CID 54934420
4-[(1R)-1-hydroxyethyl]-3-(3-methylpyrrolidin-1-yl)benzonitrile
CID 113372899
1-(5-cyano-2-methylphenyl)-4-hydroxypiperidine-4-carboxamide
CID 68689725
1-(4-cyano-2-methylphenyl)piperidine-4-carboxylic acid
CID 55025142
2-(4-methylpiperidin-1-yl)benzonitrile
CID 14931104
3-[4-(dimethylamino)piperidin-1-yl]-4-(trifluoromethyl)benzonitrile
CID 133381276
3-[(2R)-3-cyclopentyl-2-methyl-2H-benzimidazol-1-yl]-4-methylbenzonitrile
CID 118441246
3-methyl-4-piperidin-1-ylbenzonitrile
CID 60929306
4-amino-3-(4-hydroxypiperidin-1-yl)benzonitrile
CID 104711326

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-(4-methylpiperidin-1-yl)benzonitrile?
The IUPAC name of 4-methyl-3-(4-methylpiperidin-1-yl)benzonitrile (CID 79686652) is 4-methyl-3-(4-methylpiperidin-1-yl)benzonitrile.
What is the SMILES notation for 4-methyl-3-(4-methylpiperidin-1-yl)benzonitrile?
The canonical SMILES for 4-methyl-3-(4-methylpiperidin-1-yl)benzonitrile is Cc1ccc(C#N)cc1N1CCC(C)CC1.
What is the InChIKey of 4-methyl-3-(4-methylpiperidin-1-yl)benzonitrile?
The InChIKey is GJDLYIRHNANBFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2/c1-11-5-7-16(8-6-11)14-9-13(10-15)4-3-12(14)2/h3-4,9,11H,5-8H2,1-2H3.
What are the key properties of 4-methyl-3-(4-methylpiperidin-1-yl)benzonitrile?
4-methyl-3-(4-methylpiperidin-1-yl)benzonitrile has a molecular weight of 214.31 g/mol, XLogP of 3.10, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-(4-methylpiperidin-1-yl)benzonitrile is sourced from PubChem (CID 79686652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).