3-[(3S)-3-(aminomethyl)piperidin-1-yl]quinoxalin-2-amine

C14H19N5 — CID 97165472

IUPAC3-[(3S)-3-(aminomethyl)piperidin-1-yl]quinoxalin-2-amine
SMILESNC[C@@H]1CCCN(c2nc3ccccc3nc2N)C1
InChIInChI=1S/C14H19N5/c15-8-10-4-3-7-19(9-10)14-13(16)17-11-5-1-2-6-12(11)18-14/h1-2,5-6,10H,3-4,7-9,15H2,(H2,16,17)/t10-/m0/s1
InChIKeyYCFIDRFTHDKXBU-JTQLQIEISA-N
MW257.34 g/mol
LogP1.39
Rot. Bonds2

About 3-[(3S)-3-(aminomethyl)piperidin-1-yl]quinoxalin-2-amine

3-[(3S)-3-(aminomethyl)piperidin-1-yl]quinoxalin-2-amine (PubChem CID 97165472) has the molecular formula C14H19N5 and a molecular weight of 257.34 g/mol. Its IUPAC name is 3-[(3S)-3-(aminomethyl)piperidin-1-yl]quinoxalin-2-amine.

Molecular Properties

Compound Name3-[(3S)-3-(aminomethyl)piperidin-1-yl]quinoxalin-2-amine
PubChem CID97165472
Molecular FormulaC14H19N5
Molecular Weight257.34 g/mol
Exact Mass257.16
IUPAC Name3-[(3S)-3-(aminomethyl)piperidin-1-yl]quinoxalin-2-amine
SMILESNC[C@@H]1CCCN(c2nc3ccccc3nc2N)C1
InChIInChI=1S/C14H19N5/c15-8-10-4-3-7-19(9-10)14-13(16)17-11-5-1-2-6-12(11)18-14/h1-2,5-6,10H,3-4,7-9,15H2,(H2,16,17)/t10-/m0/s1
InChIKeyYCFIDRFTHDKXBU-JTQLQIEISA-N
XLogP1.39
TPSA81.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[(3R)-1-(3-chloroquinoxalin-2-yl)piperidin-3-yl]methanamine
CID 97165469
3-[(3S)-3-aminopiperidin-1-yl]quinoxalin-2-amine
CID 97165327
3-[(3S)-3-aminopyrrolidin-1-yl]quinoxalin-2-amine;hydrochloride
CID 71643981
3-(4-cyclopropylpiperazin-1-yl)quinoxalin-2-amine
CID 102986229
2-[3-(chloromethyl)piperidin-1-yl]-3-methylquinoxaline
CID 63392549
3-[3-(aminomethyl)pyrrolidin-1-yl]-N-cyclopropylquinoxalin-2-amine;hydrochloride
CID 71644805
3-(4-propylpiperidin-1-yl)quinoxalin-2-amine
CID 102986310
(3R)-1-(3-chloroquinoxalin-2-yl)piperidin-3-amine
CID 86318100
[1-(2-aminoquinazolin-4-yl)piperidin-3-yl]methanol
CID 80792862
3-(3,4-dimethoxypyrrolidin-1-yl)quinoxalin-2-amine
CID 103541708
(1-pyridin-3-ylpiperidin-3-yl)methanamine
CID 83818099
(1-pyrazolo[1,5-a]pyrazin-4-ylpiperidin-3-yl)methanamine
CID 104729923

Frequently Asked Questions

What is the IUPAC name of 3-[(3S)-3-(aminomethyl)piperidin-1-yl]quinoxalin-2-amine?
The IUPAC name of 3-[(3S)-3-(aminomethyl)piperidin-1-yl]quinoxalin-2-amine (CID 97165472) is 3-[(3S)-3-(aminomethyl)piperidin-1-yl]quinoxalin-2-amine.
What is the SMILES notation for 3-[(3S)-3-(aminomethyl)piperidin-1-yl]quinoxalin-2-amine?
The canonical SMILES for 3-[(3S)-3-(aminomethyl)piperidin-1-yl]quinoxalin-2-amine is NC[C@@H]1CCCN(c2nc3ccccc3nc2N)C1.
What is the InChIKey of 3-[(3S)-3-(aminomethyl)piperidin-1-yl]quinoxalin-2-amine?
The InChIKey is YCFIDRFTHDKXBU-JTQLQIEISA-N. The full InChI is InChI=1S/C14H19N5/c15-8-10-4-3-7-19(9-10)14-13(16)17-11-5-1-2-6-12(11)18-14/h1-2,5-6,10H,3-4,7-9,15H2,(H2,16,17)/t10-/m0/s1.
What are the key properties of 3-[(3S)-3-(aminomethyl)piperidin-1-yl]quinoxalin-2-amine?
3-[(3S)-3-(aminomethyl)piperidin-1-yl]quinoxalin-2-amine has a molecular weight of 257.34 g/mol, XLogP of 1.39, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3S)-3-(aminomethyl)piperidin-1-yl]quinoxalin-2-amine is sourced from PubChem (CID 97165472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).