2-amino-3-(4-ethylpiperidin-1-yl)benzonitrile

C14H19N3 — CID 104716432

IUPAC2-amino-3-(4-ethylpiperidin-1-yl)benzonitrile
SMILESCCC1CCN(c2cccc(C#N)c2N)CC1
InChIInChI=1S/C14H19N3/c1-2-11-6-8-17(9-7-11)13-5-3-4-12(10-15)14(13)16/h3-5,11H,2,6-9,16H2,1H3
InChIKeyKHJCYIGRDNZCDT-UHFFFAOYSA-N
MW229.33 g/mol
LogP2.77
Rot. Bonds2

About 2-amino-3-(4-ethylpiperidin-1-yl)benzonitrile

2-amino-3-(4-ethylpiperidin-1-yl)benzonitrile (PubChem CID 104716432) has the molecular formula C14H19N3 and a molecular weight of 229.33 g/mol. Its IUPAC name is 2-amino-3-(4-ethylpiperidin-1-yl)benzonitrile.

Molecular Properties

Compound Name2-amino-3-(4-ethylpiperidin-1-yl)benzonitrile
PubChem CID104716432
Molecular FormulaC14H19N3
Molecular Weight229.33 g/mol
Exact Mass229.16
IUPAC Name2-amino-3-(4-ethylpiperidin-1-yl)benzonitrile
SMILESCCC1CCN(c2cccc(C#N)c2N)CC1
InChIInChI=1S/C14H19N3/c1-2-11-6-8-17(9-7-11)13-5-3-4-12(10-15)14(13)16/h3-5,11H,2,6-9,16H2,1H3
InChIKeyKHJCYIGRDNZCDT-UHFFFAOYSA-N
XLogP2.77
TPSA53.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.33
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-amino-3-(4-propylazepan-1-yl)benzonitrile
CID 104716806
2-amino-3-(4-methoxypiperidin-1-yl)benzonitrile
CID 113444673
2-amino-3-[3-(dimethylamino)pyrrolidin-1-yl]benzonitrile
CID 104716729
5-bromo-2-(4-ethylpiperidin-1-yl)benzonitrile
CID 114890510
2-(4-butylpiperidin-1-yl)benzonitrile
CID 18726974
5-chloro-2-(4-ethylpiperidin-1-yl)benzonitrile
CID 55078571
2-(4-ethylpiperidin-1-yl)-6-methylsulfanylbenzonitrile
CID 113385525
2-[4-(methoxymethyl)piperidin-1-yl]benzonitrile
CID 23293075
2-amino-3-(3,3-dimethylpyrrolidin-1-yl)benzonitrile
CID 104716925
2-(4-methylpiperidin-1-yl)benzonitrile
CID 14931104
1-(2,3-difluorophenyl)-4-ethylpiperidine
CID 155298255
3-[4-(aminomethyl)piperidin-1-yl]-2-nitrobenzonitrile
CID 104719954

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(4-ethylpiperidin-1-yl)benzonitrile?
The IUPAC name of 2-amino-3-(4-ethylpiperidin-1-yl)benzonitrile (CID 104716432) is 2-amino-3-(4-ethylpiperidin-1-yl)benzonitrile.
What is the SMILES notation for 2-amino-3-(4-ethylpiperidin-1-yl)benzonitrile?
The canonical SMILES for 2-amino-3-(4-ethylpiperidin-1-yl)benzonitrile is CCC1CCN(c2cccc(C#N)c2N)CC1.
What is the InChIKey of 2-amino-3-(4-ethylpiperidin-1-yl)benzonitrile?
The InChIKey is KHJCYIGRDNZCDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3/c1-2-11-6-8-17(9-7-11)13-5-3-4-12(10-15)14(13)16/h3-5,11H,2,6-9,16H2,1H3.
What are the key properties of 2-amino-3-(4-ethylpiperidin-1-yl)benzonitrile?
2-amino-3-(4-ethylpiperidin-1-yl)benzonitrile has a molecular weight of 229.33 g/mol, XLogP of 2.77, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(4-ethylpiperidin-1-yl)benzonitrile is sourced from PubChem (CID 104716432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).