[(3R)-1-(3-chloroquinoxalin-2-yl)piperidin-3-yl]methanamine

C14H17ClN4 — CID 97165469

IUPAC[(3R)-1-(3-chloroquinoxalin-2-yl)piperidin-3-yl]methanamine
SMILESNC[C@H]1CCCN(c2nc3ccccc3nc2Cl)C1
InChIInChI=1S/C14H17ClN4/c15-13-14(19-7-3-4-10(8-16)9-19)18-12-6-2-1-5-11(12)17-13/h1-2,5-6,10H,3-4,7-9,16H2/t10-/m1/s1
InChIKeyBDFOTDPUGAXOHS-SNVBAGLBSA-N
MW276.77 g/mol
LogP2.46
Rot. Bonds2

About [(3R)-1-(3-chloroquinoxalin-2-yl)piperidin-3-yl]methanamine

[(3R)-1-(3-chloroquinoxalin-2-yl)piperidin-3-yl]methanamine (PubChem CID 97165469) has the molecular formula C14H17ClN4 and a molecular weight of 276.77 g/mol. Its IUPAC name is [(3R)-1-(3-chloroquinoxalin-2-yl)piperidin-3-yl]methanamine.

Molecular Properties

Compound Name[(3R)-1-(3-chloroquinoxalin-2-yl)piperidin-3-yl]methanamine
PubChem CID97165469
Molecular FormulaC14H17ClN4
Molecular Weight276.77 g/mol
Exact Mass276.11
IUPAC Name[(3R)-1-(3-chloroquinoxalin-2-yl)piperidin-3-yl]methanamine
SMILESNC[C@H]1CCCN(c2nc3ccccc3nc2Cl)C1
InChIInChI=1S/C14H17ClN4/c15-13-14(19-7-3-4-10(8-16)9-19)18-12-6-2-1-5-11(12)17-13/h1-2,5-6,10H,3-4,7-9,16H2/t10-/m1/s1
InChIKeyBDFOTDPUGAXOHS-SNVBAGLBSA-N
XLogP2.46
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.77
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(3S)-3-(aminomethyl)piperidin-1-yl]quinoxalin-2-amine
CID 97165472
(3R)-1-(3-chloroquinoxalin-2-yl)piperidin-3-amine
CID 86318100
(3S)-1-(3-chloroquinoxalin-2-yl)pyrrolidin-3-amine
CID 71643980
[1-(3-chloroquinoxalin-2-yl)pyrrolidin-3-yl]methanol
CID 71650041
(3R)-1-(3-chloroquinoxalin-2-yl)-N-methylpiperidin-3-amine
CID 97164747
2-[3-(chloromethyl)piperidin-1-yl]-3-methylquinoxaline
CID 63392549
3-[3-(aminomethyl)pyrrolidin-1-yl]-N-cyclopropylquinoxalin-2-amine;hydrochloride
CID 71644805
(3R)-1-(3-chloroquinoxalin-2-yl)pyrrolidin-3-ol
CID 71649300
3-[(3S)-3-aminopiperidin-1-yl]quinoxalin-2-amine
CID 97165327
2-chloro-4-(3-ethylpiperidin-1-yl)quinazoline
CID 62478018
(1-pyridin-3-ylpiperidin-3-yl)methanamine
CID 83818099
[1-(2-fluorophenyl)azepan-3-yl]methanamine
CID 84687805

Frequently Asked Questions

What is the IUPAC name of [(3R)-1-(3-chloroquinoxalin-2-yl)piperidin-3-yl]methanamine?
The IUPAC name of [(3R)-1-(3-chloroquinoxalin-2-yl)piperidin-3-yl]methanamine (CID 97165469) is [(3R)-1-(3-chloroquinoxalin-2-yl)piperidin-3-yl]methanamine.
What is the SMILES notation for [(3R)-1-(3-chloroquinoxalin-2-yl)piperidin-3-yl]methanamine?
The canonical SMILES for [(3R)-1-(3-chloroquinoxalin-2-yl)piperidin-3-yl]methanamine is NC[C@H]1CCCN(c2nc3ccccc3nc2Cl)C1.
What is the InChIKey of [(3R)-1-(3-chloroquinoxalin-2-yl)piperidin-3-yl]methanamine?
The InChIKey is BDFOTDPUGAXOHS-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H17ClN4/c15-13-14(19-7-3-4-10(8-16)9-19)18-12-6-2-1-5-11(12)17-13/h1-2,5-6,10H,3-4,7-9,16H2/t10-/m1/s1.
What are the key properties of [(3R)-1-(3-chloroquinoxalin-2-yl)piperidin-3-yl]methanamine?
[(3R)-1-(3-chloroquinoxalin-2-yl)piperidin-3-yl]methanamine has a molecular weight of 276.77 g/mol, XLogP of 2.46, 2 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-yl]methanamine is sourced from PubChem (CID 97165469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).