2-[1-(1-methylpiperidin-3-yl)ethylamino]benzonitrile

C15H21N3 — CID 43307860

IUPAC2-[1-(1-methylpiperidin-3-yl)ethylamino]benzonitrile
SMILESCC(Nc1ccccc1C#N)C1CCCN(C)C1
InChIInChI=1S/C15H21N3/c1-12(14-7-5-9-18(2)11-14)17-15-8-4-3-6-13(15)10-16/h3-4,6,8,12,14,17H,5,7,9,11H2,1-2H3
InChIKeyYICLQJOBJDWMHO-UHFFFAOYSA-N
MW243.35 g/mol
LogP2.70
Rot. Bonds3

About 2-[1-(1-methylpiperidin-3-yl)ethylamino]benzonitrile

2-[1-(1-methylpiperidin-3-yl)ethylamino]benzonitrile (PubChem CID 43307860) has the molecular formula C15H21N3 and a molecular weight of 243.35 g/mol. Its IUPAC name is 2-[1-(1-methylpiperidin-3-yl)ethylamino]benzonitrile.

Molecular Properties

Compound Name2-[1-(1-methylpiperidin-3-yl)ethylamino]benzonitrile
PubChem CID43307860
Molecular FormulaC15H21N3
Molecular Weight243.35 g/mol
Exact Mass243.17
IUPAC Name2-[1-(1-methylpiperidin-3-yl)ethylamino]benzonitrile
SMILESCC(Nc1ccccc1C#N)C1CCCN(C)C1
InChIInChI=1S/C15H21N3/c1-12(14-7-5-9-18(2)11-14)17-15-8-4-3-6-13(15)10-16/h3-4,6,8,12,14,17H,5,7,9,11H2,1-2H3
InChIKeyYICLQJOBJDWMHO-UHFFFAOYSA-N
XLogP2.70
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-5-[1-(1-methylpiperidin-3-yl)ethylamino]benzonitrile
CID 43686795
N-[1-(1-methylpiperidin-3-yl)ethyl]-5,6,7,8-tetrahydronaphthalen-1-amine
CID 43307588
2-[(dimethylamino)methyl]-N-[1-(1-methylpiperidin-3-yl)ethyl]aniline
CID 43750067
2-[1-(1-methylpiperidin-3-yl)ethoxy]benzonitrile
CID 117052822
3-iodo-2-methyl-N-[1-(1-methylpiperidin-3-yl)ethyl]aniline
CID 113368981
methyl 2-[1-(1-methylpiperidin-3-yl)ethylamino]benzoate
CID 43308775
N-[1-(1-methylpiperidin-3-yl)ethyl]-2-(tetrazol-1-yl)aniline
CID 43702094
2-methyl-N-[1-(1-methylpiperidin-3-yl)ethyl]-5-nitroaniline
CID 43718443
N-[1-(1-methylpiperidin-3-yl)ethyl]isoquinolin-5-amine
CID 43681268
5-methyl-N-[1-(1-methylpiperidin-3-yl)ethyl]-2-nitroaniline
CID 115912433
2,6-dimethyl-3-[1-(1-methylpiperidin-3-yl)ethylamino]phenol
CID 43741661
2-chloro-4-fluoro-N-[1-(1-methylpiperidin-3-yl)ethyl]aniline
CID 43308733

Frequently Asked Questions

What is the IUPAC name of 2-[1-(1-methylpiperidin-3-yl)ethylamino]benzonitrile?
The IUPAC name of 2-[1-(1-methylpiperidin-3-yl)ethylamino]benzonitrile (CID 43307860) is 2-[1-(1-methylpiperidin-3-yl)ethylamino]benzonitrile.
What is the SMILES notation for 2-[1-(1-methylpiperidin-3-yl)ethylamino]benzonitrile?
The canonical SMILES for 2-[1-(1-methylpiperidin-3-yl)ethylamino]benzonitrile is CC(Nc1ccccc1C#N)C1CCCN(C)C1.
What is the InChIKey of 2-[1-(1-methylpiperidin-3-yl)ethylamino]benzonitrile?
The InChIKey is YICLQJOBJDWMHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3/c1-12(14-7-5-9-18(2)11-14)17-15-8-4-3-6-13(15)10-16/h3-4,6,8,12,14,17H,5,7,9,11H2,1-2H3.
What are the key properties of 2-[1-(1-methylpiperidin-3-yl)ethylamino]benzonitrile?
2-[1-(1-methylpiperidin-3-yl)ethylamino]benzonitrile has a molecular weight of 243.35 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1-methylpiperidin-3-yl)ethylamino]benzonitrile is sourced from PubChem (CID 43307860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).