1-(6-nitroquinoxalin-2-yl)piperidin-3-amine;hydrochloride

C13H16ClN5O2 — CID 71644205

IUPAC1-(6-nitroquinoxalin-2-yl)piperidin-3-amine;hydrochloride
SMILESCl.NC1CCCN(c2cnc3cc([N+](=O)[O-])ccc3n2)C1
InChIInChI=1S/C13H15N5O2.ClH/c14-9-2-1-5-17(8-9)13-7-15-12-6-10(18(19)20)3-4-11(12)16-13;/h3-4,6-7,9H,1-2,5,8,14H2;1H
InChIKeyIMQUVLFOCGVZBC-UHFFFAOYSA-N
MW309.76 g/mol
LogP1.89
Rot. Bonds2

About 1-(6-nitroquinoxalin-2-yl)piperidin-3-amine;hydrochloride

1-(6-nitroquinoxalin-2-yl)piperidin-3-amine;hydrochloride (PubChem CID 71644205) has the molecular formula C13H16ClN5O2 and a molecular weight of 309.76 g/mol. Its IUPAC name is 1-(6-nitroquinoxalin-2-yl)piperidin-3-amine;hydrochloride.

Molecular Properties

Compound Name1-(6-nitroquinoxalin-2-yl)piperidin-3-amine;hydrochloride
PubChem CID71644205
Molecular FormulaC13H16ClN5O2
Molecular Weight309.76 g/mol
Exact Mass309.10
IUPAC Name1-(6-nitroquinoxalin-2-yl)piperidin-3-amine;hydrochloride
SMILESCl.NC1CCCN(c2cnc3cc([N+](=O)[O-])ccc3n2)C1
InChIInChI=1S/C13H15N5O2.ClH/c14-9-2-1-5-17(8-9)13-7-15-12-6-10(18(19)20)3-4-11(12)16-13;/h3-4,6-7,9H,1-2,5,8,14H2;1H
InChIKeyIMQUVLFOCGVZBC-UHFFFAOYSA-N
XLogP1.89
TPSA98.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.76
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[1-(6-nitroquinoxalin-2-yl)piperidin-4-yl]methanol
CID 71650059
tert-butyl N-methyl-N-[1-(6-nitroquinoxalin-2-yl)piperidin-3-yl]carbamate
CID 71647015
4-(6-nitroquinoxalin-2-yl)piperazine-2-carboxylic acid
CID 71649706
(3S)-1-(6-nitroquinolin-2-yl)piperidin-3-ol
CID 107225336
(3S)-1-quinoxalin-2-ylpyrrolidin-3-amine;hydrochloride
CID 71643977
N-methyl-1-(6-nitroquinolin-2-yl)piperidin-3-amine
CID 62545842
1-(5H-pyrrolo[2,3-b]pyrazin-2-yl)piperidin-3-amine
CID 141448207
1-(6-nitroquinolin-2-yl)piperidine-3-carboxylic acid
CID 120964801
(3S)-1-(6-aminoquinoxalin-2-yl)piperidine-3-carboxylic acid
CID 97168760
6-(3-aminopiperidin-1-yl)-3-nitropyridine-2-carbonitrile
CID 103472225
(3S)-1-(2-methylsulfonyl-5-nitrophenyl)piperidin-3-amine
CID 166174863
6-nitro-2,3-di(piperidin-1-yl)quinoxaline
CID 4597717

Frequently Asked Questions

What is the IUPAC name of 1-(6-nitroquinoxalin-2-yl)piperidin-3-amine;hydrochloride?
The IUPAC name of 1-(6-nitroquinoxalin-2-yl)piperidin-3-amine;hydrochloride (CID 71644205) is 1-(6-nitroquinoxalin-2-yl)piperidin-3-amine;hydrochloride.
What is the SMILES notation for 1-(6-nitroquinoxalin-2-yl)piperidin-3-amine;hydrochloride?
The canonical SMILES for 1-(6-nitroquinoxalin-2-yl)piperidin-3-amine;hydrochloride is Cl.NC1CCCN(c2cnc3cc([N+](=O)[O-])ccc3n2)C1.
What is the InChIKey of 1-(6-nitroquinoxalin-2-yl)piperidin-3-amine;hydrochloride?
The InChIKey is IMQUVLFOCGVZBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5O2.ClH/c14-9-2-1-5-17(8-9)13-7-15-12-6-10(18(19)20)3-4-11(12)16-13;/h3-4,6-7,9H,1-2,5,8,14H2;1H.
What are the key properties of 1-(6-nitroquinoxalin-2-yl)piperidin-3-amine;hydrochloride?
1-(6-nitroquinoxalin-2-yl)piperidin-3-amine;hydrochloride has a molecular weight of 309.76 g/mol, XLogP of 1.89, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-nitroquinoxalin-2-yl)piperidin-3-amine;hydrochloride is sourced from PubChem (CID 71644205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).