2-(4-amino-3-ethylpiperidin-1-yl)-6-chlorobenzonitrile

C14H18ClN3 — CID 81459606

IUPAC2-(4-amino-3-ethylpiperidin-1-yl)-6-chlorobenzonitrile
SMILESCCC1CN(c2cccc(Cl)c2C#N)CCC1N
InChIInChI=1S/C14H18ClN3/c1-2-10-9-18(7-6-13(10)17)14-5-3-4-12(15)11(14)8-16/h3-5,10,13H,2,6-7,9,17H2,1H3
InChIKeyCENAQAKZVMOHNH-UHFFFAOYSA-N
MW263.77 g/mol
LogP2.78
Rot. Bonds2

About 2-(4-amino-3-ethylpiperidin-1-yl)-6-chlorobenzonitrile

2-(4-amino-3-ethylpiperidin-1-yl)-6-chlorobenzonitrile (PubChem CID 81459606) has the molecular formula C14H18ClN3 and a molecular weight of 263.77 g/mol. Its IUPAC name is 2-(4-amino-3-ethylpiperidin-1-yl)-6-chlorobenzonitrile.

Molecular Properties

Compound Name2-(4-amino-3-ethylpiperidin-1-yl)-6-chlorobenzonitrile
PubChem CID81459606
Molecular FormulaC14H18ClN3
Molecular Weight263.77 g/mol
Exact Mass263.12
IUPAC Name2-(4-amino-3-ethylpiperidin-1-yl)-6-chlorobenzonitrile
SMILESCCC1CN(c2cccc(Cl)c2C#N)CCC1N
InChIInChI=1S/C14H18ClN3/c1-2-10-9-18(7-6-13(10)17)14-5-3-4-12(15)11(14)8-16/h3-5,10,13H,2,6-7,9,17H2,1H3
InChIKeyCENAQAKZVMOHNH-UHFFFAOYSA-N
XLogP2.78
TPSA53.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.77
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-3-ethylpiperidin-1-yl)-6-chlorobenzonitrile?
The IUPAC name of 2-(4-amino-3-ethylpiperidin-1-yl)-6-chlorobenzonitrile (CID 81459606) is 2-(4-amino-3-ethylpiperidin-1-yl)-6-chlorobenzonitrile.
What is the SMILES notation for 2-(4-amino-3-ethylpiperidin-1-yl)-6-chlorobenzonitrile?
The canonical SMILES for 2-(4-amino-3-ethylpiperidin-1-yl)-6-chlorobenzonitrile is CCC1CN(c2cccc(Cl)c2C#N)CCC1N.
What is the InChIKey of 2-(4-amino-3-ethylpiperidin-1-yl)-6-chlorobenzonitrile?
The InChIKey is CENAQAKZVMOHNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3/c1-2-10-9-18(7-6-13(10)17)14-5-3-4-12(15)11(14)8-16/h3-5,10,13H,2,6-7,9,17H2,1H3.
What are the key properties of 2-(4-amino-3-ethylpiperidin-1-yl)-6-chlorobenzonitrile?
2-(4-amino-3-ethylpiperidin-1-yl)-6-chlorobenzonitrile has a molecular weight of 263.77 g/mol, XLogP of 2.78, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-3-ethylpiperidin-1-yl)-6-chlorobenzonitrile is sourced from PubChem (CID 81459606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).