(3R)-1-(3-chloroquinoxalin-2-yl)piperidin-3-amine

C13H15ClN4 — CID 86318100

IUPAC(3R)-1-(3-chloroquinoxalin-2-yl)piperidin-3-amine
SMILESN[C@@H]1CCCN(c2nc3ccccc3nc2Cl)C1
InChIInChI=1S/C13H15ClN4/c14-12-13(18-7-3-4-9(15)8-18)17-11-6-2-1-5-10(11)16-12/h1-2,5-6,9H,3-4,7-8,15H2/t9-/m1/s1
InChIKeyYJEIZIFIQGKNOG-SECBINFHSA-N
MW262.74 g/mol
LogP2.21
Rot. Bonds1

About (3R)-1-(3-chloroquinoxalin-2-yl)piperidin-3-amine

(3R)-1-(3-chloroquinoxalin-2-yl)piperidin-3-amine (PubChem CID 86318100) has the molecular formula C13H15ClN4 and a molecular weight of 262.74 g/mol. Its IUPAC name is (3R)-1-(3-chloroquinoxalin-2-yl)piperidin-3-amine.

Molecular Properties

Compound Name(3R)-1-(3-chloroquinoxalin-2-yl)piperidin-3-amine
PubChem CID86318100
Molecular FormulaC13H15ClN4
Molecular Weight262.74 g/mol
Exact Mass262.10
IUPAC Name(3R)-1-(3-chloroquinoxalin-2-yl)piperidin-3-amine
SMILESN[C@@H]1CCCN(c2nc3ccccc3nc2Cl)C1
InChIInChI=1S/C13H15ClN4/c14-12-13(18-7-3-4-9(15)8-18)17-11-6-2-1-5-10(11)16-12/h1-2,5-6,9H,3-4,7-8,15H2/t9-/m1/s1
InChIKeyYJEIZIFIQGKNOG-SECBINFHSA-N
XLogP2.21
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.74
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-1-(3-chloroquinoxalin-2-yl)pyrrolidin-3-amine
CID 71643980
[(3R)-1-(3-chloroquinoxalin-2-yl)piperidin-3-yl]methanamine
CID 97165469
3-[(3S)-3-aminopiperidin-1-yl]quinoxalin-2-amine
CID 97165327
(3R)-1-(3-chloroquinoxalin-2-yl)-N-methylpiperidin-3-amine
CID 97164747
(3R)-1-(3-chloroquinoxalin-2-yl)pyrrolidin-3-ol
CID 71649300
[1-(3-chloroquinoxalin-2-yl)pyrrolidin-3-yl]methanol
CID 71650041
3-[(3S)-3-aminopyrrolidin-1-yl]quinoxalin-2-amine;hydrochloride
CID 71643981
3-[(3R)-3-aminopyrrolidin-1-yl]-N-methylquinoxalin-2-amine;hydrochloride
CID 71642532
3-[(3S)-3-(aminomethyl)piperidin-1-yl]quinoxalin-2-amine
CID 97165472
(3R)-1-(3-methoxyquinoxalin-2-yl)pyrrolidin-3-amine;hydrochloride
CID 71643054
2-[3-(chloromethyl)piperidin-1-yl]-3-methylquinoxaline
CID 63392549
1-(3,4-dichlorophenyl)piperidin-3-amine
CID 62537230

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(3-chloroquinoxalin-2-yl)piperidin-3-amine?
The IUPAC name of (3R)-1-(3-chloroquinoxalin-2-yl)piperidin-3-amine (CID 86318100) is (3R)-1-(3-chloroquinoxalin-2-yl)piperidin-3-amine.
What is the SMILES notation for (3R)-1-(3-chloroquinoxalin-2-yl)piperidin-3-amine?
The canonical SMILES for (3R)-1-(3-chloroquinoxalin-2-yl)piperidin-3-amine is N[C@@H]1CCCN(c2nc3ccccc3nc2Cl)C1.
What is the InChIKey of (3R)-1-(3-chloroquinoxalin-2-yl)piperidin-3-amine?
The InChIKey is YJEIZIFIQGKNOG-SECBINFHSA-N. The full InChI is InChI=1S/C13H15ClN4/c14-12-13(18-7-3-4-9(15)8-18)17-11-6-2-1-5-10(11)16-12/h1-2,5-6,9H,3-4,7-8,15H2/t9-/m1/s1.
What are the key properties of (3R)-1-(3-chloroquinoxalin-2-yl)piperidin-3-amine?
(3R)-1-(3-chloroquinoxalin-2-yl)piperidin-3-amine has a molecular weight of 262.74 g/mol, XLogP of 2.21, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(3-chloroquinoxalin-2-yl)piperidin-3-amine is sourced from PubChem (CID 86318100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).