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

C14H18N4O — CID 97165192

IUPAC3-[[(3S)-piperidin-3-yl]methoxy]quinoxalin-2-amine
SMILESNc1nc2ccccc2nc1OC[C@H]1CCCNC1
InChIInChI=1S/C14H18N4O/c15-13-14(19-9-10-4-3-7-16-8-10)18-12-6-2-1-5-11(12)17-13/h1-2,5-6,10,16H,3-4,7-9H2,(H2,15,17)/t10-/m0/s1
InChIKeyBXDCCDPQWJSQSX-JTQLQIEISA-N
MW258.32 g/mol
LogP1.59
Rot. Bonds3

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

3-[[(3S)-piperidin-3-yl]methoxy]quinoxalin-2-amine (PubChem CID 97165192) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is 3-[[(3S)-piperidin-3-yl]methoxy]quinoxalin-2-amine.

Molecular Properties

Compound Name3-[[(3S)-piperidin-3-yl]methoxy]quinoxalin-2-amine
PubChem CID97165192
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC Name3-[[(3S)-piperidin-3-yl]methoxy]quinoxalin-2-amine
SMILESNc1nc2ccccc2nc1OC[C@H]1CCCNC1
InChIInChI=1S/C14H18N4O/c15-13-14(19-9-10-4-3-7-16-8-10)18-12-6-2-1-5-11(12)17-13/h1-2,5-6,10,16H,3-4,7-9H2,(H2,15,17)/t10-/m0/s1
InChIKeyBXDCCDPQWJSQSX-JTQLQIEISA-N
XLogP1.59
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-3-(piperidin-3-ylmethoxy)quinoxaline
CID 55067629
2-ethoxy-3-(piperidin-3-ylmethoxy)quinoxaline
CID 71639733
3-(piperidin-4-ylmethoxy)quinoxalin-2-amine
CID 71644088
3-(piperidin-3-ylmethoxy)-1,2,4-benzotriazine
CID 103204980
2-methoxy-3-(pyrrolidin-3-ylmethoxy)quinoxaline
CID 71643111
2-methoxy-3-[[(3S)-pyrrolidin-3-yl]methoxy]quinoxaline
CID 97164916
2-[[(3R)-piperidin-3-yl]methoxy]-1,3-benzoxazole
CID 94407294
(3S)-3-(phenoxymethyl)piperidine
CID 26190643
N-cyclopropyl-3-(pyrrolidin-3-ylmethoxy)quinoxalin-2-amine
CID 71636942
N-cyclopropyl-3-[[(3R)-pyrrolidin-3-yl]methoxy]quinoxalin-2-amine
CID 97178411
2-methoxy-3-[3-[(3S)-piperidin-3-yl]propoxy]quinoxaline
CID 97164923
3-methyl-2-(pyrrolidin-3-ylmethoxy)quinoline
CID 63228996

Frequently Asked Questions

What is the IUPAC name of 3-[[(3S)-piperidin-3-yl]methoxy]quinoxalin-2-amine?
The IUPAC name of 3-[[(3S)-piperidin-3-yl]methoxy]quinoxalin-2-amine (CID 97165192) is 3-[[(3S)-piperidin-3-yl]methoxy]quinoxalin-2-amine.
What is the SMILES notation for 3-[[(3S)-piperidin-3-yl]methoxy]quinoxalin-2-amine?
The canonical SMILES for 3-[[(3S)-piperidin-3-yl]methoxy]quinoxalin-2-amine is Nc1nc2ccccc2nc1OC[C@H]1CCCNC1.
What is the InChIKey of 3-[[(3S)-piperidin-3-yl]methoxy]quinoxalin-2-amine?
The InChIKey is BXDCCDPQWJSQSX-JTQLQIEISA-N. The full InChI is InChI=1S/C14H18N4O/c15-13-14(19-9-10-4-3-7-16-8-10)18-12-6-2-1-5-11(12)17-13/h1-2,5-6,10,16H,3-4,7-9H2,(H2,15,17)/t10-/m0/s1.
What are the key properties of 3-[[(3S)-piperidin-3-yl]methoxy]quinoxalin-2-amine?
3-[[(3S)-piperidin-3-yl]methoxy]quinoxalin-2-amine has a molecular weight of 258.32 g/mol, XLogP of 1.59, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(3S)-piperidin-3-yl]methoxy]quinoxalin-2-amine is sourced from PubChem (CID 97165192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).