3-methoxy-N-methyl-N-[(3R)-piperidin-3-yl]quinoxalin-2-amine;hydrochloride

C15H21ClN4O — CID 71643020

IUPAC3-methoxy-N-methyl-N-[(3R)-piperidin-3-yl]quinoxalin-2-amine;hydrochloride
SMILESCOc1nc2ccccc2nc1N(C)[C@@H]1CCCNC1.Cl
InChIInChI=1S/C15H20N4O.ClH/c1-19(11-6-5-9-16-10-11)14-15(20-2)18-13-8-4-3-7-12(13)17-14;/h3-4,7-8,11,16H,5-6,9-10H2,1-2H3;1H/t11-;/m1./s1
InChIKeyULJUTSORPNADDV-RFVHGSKJSA-N
MW308.81 g/mol
LogP2.25
Rot. Bonds3

About 3-methoxy-N-methyl-N-[(3R)-piperidin-3-yl]quinoxalin-2-amine;hydrochloride

3-methoxy-N-methyl-N-[(3R)-piperidin-3-yl]quinoxalin-2-amine;hydrochloride (PubChem CID 71643020) has the molecular formula C15H21ClN4O and a molecular weight of 308.81 g/mol. Its IUPAC name is 3-methoxy-N-methyl-N-[(3R)-piperidin-3-yl]quinoxalin-2-amine;hydrochloride.

Molecular Properties

Compound Name3-methoxy-N-methyl-N-[(3R)-piperidin-3-yl]quinoxalin-2-amine;hydrochloride
PubChem CID71643020
Molecular FormulaC15H21ClN4O
Molecular Weight308.81 g/mol
Exact Mass308.14
IUPAC Name3-methoxy-N-methyl-N-[(3R)-piperidin-3-yl]quinoxalin-2-amine;hydrochloride
SMILESCOc1nc2ccccc2nc1N(C)[C@@H]1CCCNC1.Cl
InChIInChI=1S/C15H20N4O.ClH/c1-19(11-6-5-9-16-10-11)14-15(20-2)18-13-8-4-3-7-12(13)17-14;/h3-4,7-8,11,16H,5-6,9-10H2,1-2H3;1H/t11-;/m1./s1
InChIKeyULJUTSORPNADDV-RFVHGSKJSA-N
XLogP2.25
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.81
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-methoxy-N-methyl-N-[(3S)-piperidin-3-yl]quinoxalin-2-amine
CID 71643025
3-ethoxy-N-methyl-N-[(3S)-piperidin-3-yl]quinoxalin-2-amine
CID 71639633
3-ethoxy-N-methyl-N-[(3R)-pyrrolidin-3-yl]quinoxalin-2-amine
CID 71639631
3-ethoxy-N-methyl-N-[(3S)-pyrrolidin-3-yl]quinoxalin-2-amine
CID 71639635
2-N,3-N-dimethyl-3-N-[(3S)-piperidin-3-yl]quinoxaline-2,3-diamine
CID 71642503
N,3-dimethyl-N-pyrrolidin-3-ylquinoxalin-2-amine
CID 55205906
N-methyl-N-piperidin-3-ylquinazolin-4-amine
CID 55249323
2-N,3-N-dimethyl-3-N-[(3R)-pyrrolidin-3-yl]quinoxaline-2,3-diamine;hydrochloride
CID 71642500
N-methyl-N-piperidin-3-ylquinolin-2-amine
CID 63642355
N-methyl-N-[(3R)-piperidin-3-yl]-1,3-benzothiazol-2-amine;hydrochloride
CID 71640920
2-N,3-N-dimethyl-3-N-[(3S)-pyrrolidin-3-yl]quinoxaline-2,3-diamine
CID 71642505
2-methoxy-3-[3-[(3S)-piperidin-3-yl]propoxy]quinoxaline
CID 97164923

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-methyl-N-[(3R)-piperidin-3-yl]quinoxalin-2-amine;hydrochloride?
The IUPAC name of 3-methoxy-N-methyl-N-[(3R)-piperidin-3-yl]quinoxalin-2-amine;hydrochloride (CID 71643020) is 3-methoxy-N-methyl-N-[(3R)-piperidin-3-yl]quinoxalin-2-amine;hydrochloride.
What is the SMILES notation for 3-methoxy-N-methyl-N-[(3R)-piperidin-3-yl]quinoxalin-2-amine;hydrochloride?
The canonical SMILES for 3-methoxy-N-methyl-N-[(3R)-piperidin-3-yl]quinoxalin-2-amine;hydrochloride is COc1nc2ccccc2nc1N(C)[C@@H]1CCCNC1.Cl.
What is the InChIKey of 3-methoxy-N-methyl-N-[(3R)-piperidin-3-yl]quinoxalin-2-amine;hydrochloride?
The InChIKey is ULJUTSORPNADDV-RFVHGSKJSA-N. The full InChI is InChI=1S/C15H20N4O.ClH/c1-19(11-6-5-9-16-10-11)14-15(20-2)18-13-8-4-3-7-12(13)17-14;/h3-4,7-8,11,16H,5-6,9-10H2,1-2H3;1H/t11-;/m1./s1.
What are the key properties of 3-methoxy-N-methyl-N-[(3R)-piperidin-3-yl]quinoxalin-2-amine;hydrochloride?
3-methoxy-N-methyl-N-[(3R)-piperidin-3-yl]quinoxalin-2-amine;hydrochloride has a molecular weight of 308.81 g/mol, XLogP of 2.25, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-methyl-N-[(3R)-piperidin-3-yl]quinoxalin-2-amine;hydrochloride is sourced from PubChem (CID 71643020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).