1-piperidin-4-yl-3,4-dihydro-2H-quinoxaline-6-carbonitrile

C14H18N4 — CID 117031626

IUPAC1-piperidin-4-yl-3,4-dihydro-2H-quinoxaline-6-carbonitrile
SMILESN#Cc1ccc2c(c1)NCCN2C1CCNCC1
InChIInChI=1S/C14H18N4/c15-10-11-1-2-14-13(9-11)17-7-8-18(14)12-3-5-16-6-4-12/h1-2,9,12,16-17H,3-8H2
InChIKeyCTFGOGDQHHRIAL-UHFFFAOYSA-N
MW242.33 g/mol
LogP1.54
Rot. Bonds1

About 1-piperidin-4-yl-3,4-dihydro-2H-quinoxaline-6-carbonitrile

1-piperidin-4-yl-3,4-dihydro-2H-quinoxaline-6-carbonitrile (PubChem CID 117031626) has the molecular formula C14H18N4 and a molecular weight of 242.33 g/mol. Its IUPAC name is 1-piperidin-4-yl-3,4-dihydro-2H-quinoxaline-6-carbonitrile.

Molecular Properties

Compound Name1-piperidin-4-yl-3,4-dihydro-2H-quinoxaline-6-carbonitrile
PubChem CID117031626
Molecular FormulaC14H18N4
Molecular Weight242.33 g/mol
Exact Mass242.15
IUPAC Name1-piperidin-4-yl-3,4-dihydro-2H-quinoxaline-6-carbonitrile
SMILESN#Cc1ccc2c(c1)NCCN2C1CCNCC1
InChIInChI=1S/C14H18N4/c15-10-11-1-2-14-13(9-11)17-7-8-18(14)12-3-5-16-6-4-12/h1-2,9,12,16-17H,3-8H2
InChIKeyCTFGOGDQHHRIAL-UHFFFAOYSA-N
XLogP1.54
TPSA51.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.33
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyclohexyl-3,4-dihydro-2H-quinoxaline-6-carbonitrile
CID 117007237
1,2,3,4,10,10a-hexahydropyrazino[1,2-a]indole-8-carbonitrile
CID 162434267
1-(2-sulfanylethyl)-3,4-dihydro-2H-quinoxaline-6-carbonitrile
CID 117031652
4-(3-methoxycyclobutyl)-2,3-dihydro-1H-quinoxaline-6-carbonitrile
CID 135388689
4-piperidin-4-yl-2,3-dihydro-1H-quinoxaline-6-carboxylic acid
CID 117030660
1-(2-oxopropyl)-3,4-dihydro-2H-quinoxaline-6-carbonitrile
CID 117031662
4-(6-bromo-3,4-dihydro-2H-quinoxalin-1-yl)cyclohexan-1-one
CID 117031145
4-cyclopentyl-2,3-dihydro-1H-quinoxaline
CID 71683750
4-cyclohexyl-2,3-dihydro-1H-quinoxaline
CID 105470427
5-fluoro-1-piperidin-4-yl-2,3-dihydroindole
CID 67417842
4-cyclopropyl-3-piperazin-1-ylbenzonitrile
CID 171630505
4-(6-cyano-3,4-dihydro-2H-quinoxalin-1-yl)butanoic acid
CID 117031643

Frequently Asked Questions

What is the IUPAC name of 1-piperidin-4-yl-3,4-dihydro-2H-quinoxaline-6-carbonitrile?
The IUPAC name of 1-piperidin-4-yl-3,4-dihydro-2H-quinoxaline-6-carbonitrile (CID 117031626) is 1-piperidin-4-yl-3,4-dihydro-2H-quinoxaline-6-carbonitrile.
What is the SMILES notation for 1-piperidin-4-yl-3,4-dihydro-2H-quinoxaline-6-carbonitrile?
The canonical SMILES for 1-piperidin-4-yl-3,4-dihydro-2H-quinoxaline-6-carbonitrile is N#Cc1ccc2c(c1)NCCN2C1CCNCC1.
What is the InChIKey of 1-piperidin-4-yl-3,4-dihydro-2H-quinoxaline-6-carbonitrile?
The InChIKey is CTFGOGDQHHRIAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4/c15-10-11-1-2-14-13(9-11)17-7-8-18(14)12-3-5-16-6-4-12/h1-2,9,12,16-17H,3-8H2.
What are the key properties of 1-piperidin-4-yl-3,4-dihydro-2H-quinoxaline-6-carbonitrile?
1-piperidin-4-yl-3,4-dihydro-2H-quinoxaline-6-carbonitrile has a molecular weight of 242.33 g/mol, XLogP of 1.54, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperidin-4-yl-3,4-dihydro-2H-quinoxaline-6-carbonitrile is sourced from PubChem (CID 117031626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).