2-(4-amino-3-ethylpiperidin-1-yl)quinoline-3-carbonitrile

C17H20N4 — CID 81452578

IUPAC2-(4-amino-3-ethylpiperidin-1-yl)quinoline-3-carbonitrile
SMILESCCC1CN(c2nc3ccccc3cc2C#N)CCC1N
InChIInChI=1S/C17H20N4/c1-2-12-11-21(8-7-15(12)19)17-14(10-18)9-13-5-3-4-6-16(13)20-17/h3-6,9,12,15H,2,7-8,11,19H2,1H3
InChIKeyJIHXXRPHCXTISK-UHFFFAOYSA-N
MW280.37 g/mol
LogP2.67
Rot. Bonds2

About 2-(4-amino-3-ethylpiperidin-1-yl)quinoline-3-carbonitrile

2-(4-amino-3-ethylpiperidin-1-yl)quinoline-3-carbonitrile (PubChem CID 81452578) has the molecular formula C17H20N4 and a molecular weight of 280.37 g/mol. Its IUPAC name is 2-(4-amino-3-ethylpiperidin-1-yl)quinoline-3-carbonitrile.

Molecular Properties

Compound Name2-(4-amino-3-ethylpiperidin-1-yl)quinoline-3-carbonitrile
PubChem CID81452578
Molecular FormulaC17H20N4
Molecular Weight280.37 g/mol
Exact Mass280.17
IUPAC Name2-(4-amino-3-ethylpiperidin-1-yl)quinoline-3-carbonitrile
SMILESCCC1CN(c2nc3ccccc3cc2C#N)CCC1N
InChIInChI=1S/C17H20N4/c1-2-12-11-21(8-7-15(12)19)17-14(10-18)9-13-5-3-4-6-16(13)20-17/h3-6,9,12,15H,2,7-8,11,19H2,1H3
InChIKeyJIHXXRPHCXTISK-UHFFFAOYSA-N
XLogP2.67
TPSA65.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-3-ethylpiperidin-1-yl)quinoline-3-carbonitrile?
The IUPAC name of 2-(4-amino-3-ethylpiperidin-1-yl)quinoline-3-carbonitrile (CID 81452578) is 2-(4-amino-3-ethylpiperidin-1-yl)quinoline-3-carbonitrile.
What is the SMILES notation for 2-(4-amino-3-ethylpiperidin-1-yl)quinoline-3-carbonitrile?
The canonical SMILES for 2-(4-amino-3-ethylpiperidin-1-yl)quinoline-3-carbonitrile is CCC1CN(c2nc3ccccc3cc2C#N)CCC1N.
What is the InChIKey of 2-(4-amino-3-ethylpiperidin-1-yl)quinoline-3-carbonitrile?
The InChIKey is JIHXXRPHCXTISK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4/c1-2-12-11-21(8-7-15(12)19)17-14(10-18)9-13-5-3-4-6-16(13)20-17/h3-6,9,12,15H,2,7-8,11,19H2,1H3.
What are the key properties of 2-(4-amino-3-ethylpiperidin-1-yl)quinoline-3-carbonitrile?
2-(4-amino-3-ethylpiperidin-1-yl)quinoline-3-carbonitrile has a molecular weight of 280.37 g/mol, XLogP of 2.67, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-3-ethylpiperidin-1-yl)quinoline-3-carbonitrile is sourced from PubChem (CID 81452578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).