4-(2,4-dimethoxyphenyl)piperidine-4-carbonitrile

C14H18N2O2 — CID 82295249

IUPAC4-(2,4-dimethoxyphenyl)piperidine-4-carbonitrile
SMILESCOc1ccc(C2(C#N)CCNCC2)c(OC)c1
InChIInChI=1S/C14H18N2O2/c1-17-11-3-4-12(13(9-11)18-2)14(10-15)5-7-16-8-6-14/h3-4,9,16H,5-8H2,1-2H3
InChIKeyGGRDDCWXPPWMAK-UHFFFAOYSA-N
MW246.31 g/mol
LogP1.85
Rot. Bonds3

About 4-(2,4-dimethoxyphenyl)piperidine-4-carbonitrile

4-(2,4-dimethoxyphenyl)piperidine-4-carbonitrile (PubChem CID 82295249) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is 4-(2,4-dimethoxyphenyl)piperidine-4-carbonitrile.

Molecular Properties

Compound Name4-(2,4-dimethoxyphenyl)piperidine-4-carbonitrile
PubChem CID82295249
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name4-(2,4-dimethoxyphenyl)piperidine-4-carbonitrile
SMILESCOc1ccc(C2(C#N)CCNCC2)c(OC)c1
InChIInChI=1S/C14H18N2O2/c1-17-11-3-4-12(13(9-11)18-2)14(10-15)5-7-16-8-6-14/h3-4,9,16H,5-8H2,1-2H3
InChIKeyGGRDDCWXPPWMAK-UHFFFAOYSA-N
XLogP1.85
TPSA54.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,4,6-trimethoxyphenyl)cyclopropane-1-carbonitrile
CID 83713796
4-(2,5-dimethoxyphenyl)-4-methylpiperidine
CID 63156571
1-(2-fluoro-5-methoxyphenyl)cyclopropane-1-carbonitrile
CID 91618990
6-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]
CID 82277020
2-(2,4-dimethoxyphenyl)-2-propylpyrrolidine
CID 66465346
4-(4-chloro-2-fluorophenyl)piperidine-4-carbonitrile;hydrochloride
CID 67531755
1-(2-fluoro-4,6-dimethoxyphenyl)cyclopropane-1-carbonitrile
CID 84787805
1-(2-methoxy-5-methylphenyl)cyclopropane-1-carbonitrile
CID 43119027
4-(2,5-dimethoxyphenyl)piperidine-4-carboxylic acid
CID 82091719
4-(4-ethoxyphenyl)piperidine-4-carbonitrile
CID 46941924
2-[4-(3-methoxyphenyl)piperidin-4-yl]acetonitrile
CID 174481601
1-(2,4-dimethoxyphenyl)-2,2-dimethylcyclohexan-1-amine
CID 79834775

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dimethoxyphenyl)piperidine-4-carbonitrile?
The IUPAC name of 4-(2,4-dimethoxyphenyl)piperidine-4-carbonitrile (CID 82295249) is 4-(2,4-dimethoxyphenyl)piperidine-4-carbonitrile.
What is the SMILES notation for 4-(2,4-dimethoxyphenyl)piperidine-4-carbonitrile?
The canonical SMILES for 4-(2,4-dimethoxyphenyl)piperidine-4-carbonitrile is COc1ccc(C2(C#N)CCNCC2)c(OC)c1.
What is the InChIKey of 4-(2,4-dimethoxyphenyl)piperidine-4-carbonitrile?
The InChIKey is GGRDDCWXPPWMAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-17-11-3-4-12(13(9-11)18-2)14(10-15)5-7-16-8-6-14/h3-4,9,16H,5-8H2,1-2H3.
What are the key properties of 4-(2,4-dimethoxyphenyl)piperidine-4-carbonitrile?
4-(2,4-dimethoxyphenyl)piperidine-4-carbonitrile has a molecular weight of 246.31 g/mol, XLogP of 1.85, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dimethoxyphenyl)piperidine-4-carbonitrile is sourced from PubChem (CID 82295249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).