8-(3-amino-4-fluoropiperidin-1-yl)quinoxaline-5-carbonitrile;hydrochloride

C14H15ClFN5 — CID 129240614

IUPAC8-(3-amino-4-fluoropiperidin-1-yl)quinoxaline-5-carbonitrile;hydrochloride
SMILESCl.N#Cc1ccc(N2CCC(F)C(N)C2)c2nccnc12
InChIInChI=1S/C14H14FN5.ClH/c15-10-3-6-20(8-11(10)17)12-2-1-9(7-16)13-14(12)19-5-4-18-13;/h1-2,4-5,10-11H,3,6,8,17H2;1H
InChIKeyCBKBOGQGBIXQEA-UHFFFAOYSA-N
MW307.76 g/mol
LogP1.80
Rot. Bonds1

About 8-(3-amino-4-fluoropiperidin-1-yl)quinoxaline-5-carbonitrile;hydrochloride

8-(3-amino-4-fluoropiperidin-1-yl)quinoxaline-5-carbonitrile;hydrochloride (PubChem CID 129240614) has the molecular formula C14H15ClFN5 and a molecular weight of 307.76 g/mol. Its IUPAC name is 8-(3-amino-4-fluoropiperidin-1-yl)quinoxaline-5-carbonitrile;hydrochloride.

Molecular Properties

Compound Name8-(3-amino-4-fluoropiperidin-1-yl)quinoxaline-5-carbonitrile;hydrochloride
PubChem CID129240614
Molecular FormulaC14H15ClFN5
Molecular Weight307.76 g/mol
Exact Mass307.10
IUPAC Name8-(3-amino-4-fluoropiperidin-1-yl)quinoxaline-5-carbonitrile;hydrochloride
SMILESCl.N#Cc1ccc(N2CCC(F)C(N)C2)c2nccnc12
InChIInChI=1S/C14H14FN5.ClH/c15-10-3-6-20(8-11(10)17)12-2-1-9(7-16)13-14(12)19-5-4-18-13;/h1-2,4-5,10-11H,3,6,8,17H2;1H
InChIKeyCBKBOGQGBIXQEA-UHFFFAOYSA-N
XLogP1.80
TPSA78.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.76
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3R,4R)-1-(8-cyanoquinoxalin-5-yl)-4-fluoropyrrolidine-3-carboxylic acid
CID 162471317
2-(3-aminopyrrolidin-1-yl)-5-pyrimidin-2-ylbenzonitrile;hydrochloride
CID 67060441
ethane;8-[2-(hydroxymethyl)morpholin-4-yl]quinoxaline-5-carbonitrile
CID 153398932
4-[(3S)-3-aminopyrrolidin-1-yl]pyridine-3-carbonitrile
CID 67060660
5-(3-formylpyrrolidin-1-yl)quinoline-8-carbonitrile
CID 146440660
[1-(8-cyanoquinoxalin-5-yl)-5-methylpiperidin-3-yl]azanium
CID 163910018
2-(3-aminopyrrolidin-1-yl)-5-(1,3-thiazol-2-yl)benzonitrile;hydrochloride
CID 67060685
2-(3-aminopyrrolidin-1-yl)-5-(4-fluorophenyl)benzonitrile;hydrochloride
CID 67060466
1-[[(3S,4R)-1-(8-cyanoquinoxalin-5-yl)-4-(trifluoromethyl)pyrrolidin-3-yl]methyl]piperidine-3-carboxamide
CID 150612687
2-(3-aminopyrrolidin-1-yl)-4-bromobenzonitrile
CID 112694717
2-(3-aminopyrrolidin-1-yl)-5-chlorobenzonitrile
CID 62494377
4-(3-aminopyrrolidin-1-yl)-2-bromo-3-fluorobenzonitrile
CID 107537637

Frequently Asked Questions

What is the IUPAC name of 8-(3-amino-4-fluoropiperidin-1-yl)quinoxaline-5-carbonitrile;hydrochloride?
The IUPAC name of 8-(3-amino-4-fluoropiperidin-1-yl)quinoxaline-5-carbonitrile;hydrochloride (CID 129240614) is 8-(3-amino-4-fluoropiperidin-1-yl)quinoxaline-5-carbonitrile;hydrochloride.
What is the SMILES notation for 8-(3-amino-4-fluoropiperidin-1-yl)quinoxaline-5-carbonitrile;hydrochloride?
The canonical SMILES for 8-(3-amino-4-fluoropiperidin-1-yl)quinoxaline-5-carbonitrile;hydrochloride is Cl.N#Cc1ccc(N2CCC(F)C(N)C2)c2nccnc12.
What is the InChIKey of 8-(3-amino-4-fluoropiperidin-1-yl)quinoxaline-5-carbonitrile;hydrochloride?
The InChIKey is CBKBOGQGBIXQEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FN5.ClH/c15-10-3-6-20(8-11(10)17)12-2-1-9(7-16)13-14(12)19-5-4-18-13;/h1-2,4-5,10-11H,3,6,8,17H2;1H.
What are the key properties of 8-(3-amino-4-fluoropiperidin-1-yl)quinoxaline-5-carbonitrile;hydrochloride?
8-(3-amino-4-fluoropiperidin-1-yl)quinoxaline-5-carbonitrile;hydrochloride has a molecular weight of 307.76 g/mol, XLogP of 1.80, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3-amino-4-fluoropiperidin-1-yl)quinoxaline-5-carbonitrile;hydrochloride is sourced from PubChem (CID 129240614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).