4-amino-1-(3,4-dimethylphenyl)piperidine-4-carbonitrile

C14H19N3 — CID 117013054

IUPAC4-amino-1-(3,4-dimethylphenyl)piperidine-4-carbonitrile
SMILESCc1ccc(N2CCC(N)(C#N)CC2)cc1C
InChIInChI=1S/C14H19N3/c1-11-3-4-13(9-12(11)2)17-7-5-14(16,10-15)6-8-17/h3-4,9H,5-8,16H2,1-2H3
InChIKeySVNFETLWVSROPP-UHFFFAOYSA-N
MW229.33 g/mol
LogP2.12
Rot. Bonds1

About 4-amino-1-(3,4-dimethylphenyl)piperidine-4-carbonitrile

4-amino-1-(3,4-dimethylphenyl)piperidine-4-carbonitrile (PubChem CID 117013054) has the molecular formula C14H19N3 and a molecular weight of 229.33 g/mol. Its IUPAC name is 4-amino-1-(3,4-dimethylphenyl)piperidine-4-carbonitrile.

Molecular Properties

Compound Name4-amino-1-(3,4-dimethylphenyl)piperidine-4-carbonitrile
PubChem CID117013054
Molecular FormulaC14H19N3
Molecular Weight229.33 g/mol
Exact Mass229.16
IUPAC Name4-amino-1-(3,4-dimethylphenyl)piperidine-4-carbonitrile
SMILESCc1ccc(N2CCC(N)(C#N)CC2)cc1C
InChIInChI=1S/C14H19N3/c1-11-3-4-13(9-12(11)2)17-7-5-14(16,10-15)6-8-17/h3-4,9H,5-8,16H2,1-2H3
InChIKeySVNFETLWVSROPP-UHFFFAOYSA-N
XLogP2.12
TPSA53.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.33
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

4-amino-1-(3-bromo-4-methylphenyl)piperidine-4-carbonitrile
CID 117013082
4-cyano-1-(3,4-dimethylphenyl)piperidine-4-carboxylic acid
CID 117008032
4-amino-1-(4-tert-butylphenyl)piperidine-4-carbonitrile
CID 117013067
[4-amino-1-(3,4-dimethylphenyl)piperidin-4-yl]methanol
CID 117012104
4-amino-1-(1,3-benzodioxol-5-yl)piperidine-4-carbonitrile
CID 117013108
4-amino-1-(3-cyanophenyl)piperidine-4-carbonitrile
CID 117013111
1-(3,4-dimethylphenyl)-4-methylpiperazine
CID 21363783
3-amino-1-(4-chloro-2-methylphenyl)pyrrolidine-3-carbonitrile
CID 117012987
3-amino-1-(4-ethylphenyl)pyrrolidine-3-carbonitrile
CID 117012971
1-(3,4-dimethylphenyl)piperidin-4-one
CID 24690157
1-(3,4-dimethylphenyl)piperazine;hydrochloride
CID 56766536
3-amino-1-(2-methoxy-5-methylphenyl)pyrrolidine-3-carbonitrile
CID 117013000

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(3,4-dimethylphenyl)piperidine-4-carbonitrile?
The IUPAC name of 4-amino-1-(3,4-dimethylphenyl)piperidine-4-carbonitrile (CID 117013054) is 4-amino-1-(3,4-dimethylphenyl)piperidine-4-carbonitrile.
What is the SMILES notation for 4-amino-1-(3,4-dimethylphenyl)piperidine-4-carbonitrile?
The canonical SMILES for 4-amino-1-(3,4-dimethylphenyl)piperidine-4-carbonitrile is Cc1ccc(N2CCC(N)(C#N)CC2)cc1C.
What is the InChIKey of 4-amino-1-(3,4-dimethylphenyl)piperidine-4-carbonitrile?
The InChIKey is SVNFETLWVSROPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3/c1-11-3-4-13(9-12(11)2)17-7-5-14(16,10-15)6-8-17/h3-4,9H,5-8,16H2,1-2H3.
What are the key properties of 4-amino-1-(3,4-dimethylphenyl)piperidine-4-carbonitrile?
4-amino-1-(3,4-dimethylphenyl)piperidine-4-carbonitrile has a molecular weight of 229.33 g/mol, XLogP of 2.12, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(3,4-dimethylphenyl)piperidine-4-carbonitrile is sourced from PubChem (CID 117013054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).