5-[[(2R)-4-(2-methoxyphenyl)-2-methylpiperazin-1-yl]methyl]quinoxaline

C21H24N4O — CID 95719113

IUPAC5-[[(2R)-4-(2-methoxyphenyl)-2-methylpiperazin-1-yl]methyl]quinoxaline
SMILESCOc1ccccc1N1CCN(Cc2cccc3nccnc23)[C@H](C)C1
InChIInChI=1S/C21H24N4O/c1-16-14-25(19-8-3-4-9-20(19)26-2)13-12-24(16)15-17-6-5-7-18-21(17)23-11-10-22-18/h3-11,16H,12-15H2,1-2H3/t16-/m1/s1
InChIKeyQURKDMBQQOXCSC-MRXNPFEDSA-N
MW348.45 g/mol
LogP3.35
Rot. Bonds4

About 5-[[(2R)-4-(2-methoxyphenyl)-2-methylpiperazin-1-yl]methyl]quinoxaline

5-[[(2R)-4-(2-methoxyphenyl)-2-methylpiperazin-1-yl]methyl]quinoxaline (PubChem CID 95719113) has the molecular formula C21H24N4O and a molecular weight of 348.45 g/mol. Its IUPAC name is 5-[[(2R)-4-(2-methoxyphenyl)-2-methylpiperazin-1-yl]methyl]quinoxaline.

Molecular Properties

Compound Name5-[[(2R)-4-(2-methoxyphenyl)-2-methylpiperazin-1-yl]methyl]quinoxaline
PubChem CID95719113
Molecular FormulaC21H24N4O
Molecular Weight348.45 g/mol
Exact Mass348.20
IUPAC Name5-[[(2R)-4-(2-methoxyphenyl)-2-methylpiperazin-1-yl]methyl]quinoxaline
SMILESCOc1ccccc1N1CCN(Cc2cccc3nccnc23)[C@H](C)C1
InChIInChI=1S/C21H24N4O/c1-16-14-25(19-8-3-4-9-20(19)26-2)13-12-24(16)15-17-6-5-7-18-21(17)23-11-10-22-18/h3-11,16H,12-15H2,1-2H3/t16-/m1/s1
InChIKeyQURKDMBQQOXCSC-MRXNPFEDSA-N
XLogP3.35
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-[[(2R)-4-(2-methoxyphenyl)-2-methylpiperazin-1-yl]methyl]phenoxy]acetic acid
CID 95721987
4-[[4-(2-methoxyphenyl)-2-methylpiperazin-1-yl]methyl]-2-propan-2-ylpyrimidine
CID 56897135
5-[[(2R)-4-(2-methoxyphenyl)-2-methylpiperazin-1-yl]methyl]-2-pyrrolidin-1-yl-1,3-thiazole
CID 95715521
1-[(2-butyl-1H-imidazol-5-yl)methyl]-4-(2-methoxyphenyl)-2-methylpiperazine
CID 56909683
1-tert-butyl-4-(2-methoxyphenyl)-2-methylpiperazine
CID 59648018
(2R,3R,4S)-2-(hydroxymethyl)-1-(quinoxalin-5-ylmethyl)pyrrolidine-3,4-diol
CID 52945201
4-(4-methoxyphenyl)-1-[(2-methoxy-3-pyridinyl)methyl]-2-methylpiperazine
CID 131944864
2-(methoxymethyl)-5-[[2-methyl-4-(2-methylphenyl)piperazin-1-yl]methyl]pyrimidine
CID 56704337
3-[4-[(6-methoxy-2-pyridinyl)methyl]-3-methylpiperazin-1-yl]pyridine-2-carbonitrile
CID 172901321
2-[4-[(6-methoxy-2-pyridinyl)methyl]-3-methylpiperazin-1-yl]quinoxaline
CID 172892521
(3R)-2-[(2-methoxyphenyl)methyl]-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 110211253
1-[(2S)-4-(2-methoxyphenyl)-2-methylpiperazin-1-yl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)ethanone
CID 99973399

Frequently Asked Questions

What is the IUPAC name of 5-[[(2R)-4-(2-methoxyphenyl)-2-methylpiperazin-1-yl]methyl]quinoxaline?
The IUPAC name of 5-[[(2R)-4-(2-methoxyphenyl)-2-methylpiperazin-1-yl]methyl]quinoxaline (CID 95719113) is 5-[[(2R)-4-(2-methoxyphenyl)-2-methylpiperazin-1-yl]methyl]quinoxaline.
What is the SMILES notation for 5-[[(2R)-4-(2-methoxyphenyl)-2-methylpiperazin-1-yl]methyl]quinoxaline?
The canonical SMILES for 5-[[(2R)-4-(2-methoxyphenyl)-2-methylpiperazin-1-yl]methyl]quinoxaline is COc1ccccc1N1CCN(Cc2cccc3nccnc23)[C@H](C)C1.
What is the InChIKey of 5-[[(2R)-4-(2-methoxyphenyl)-2-methylpiperazin-1-yl]methyl]quinoxaline?
The InChIKey is QURKDMBQQOXCSC-MRXNPFEDSA-N. The full InChI is InChI=1S/C21H24N4O/c1-16-14-25(19-8-3-4-9-20(19)26-2)13-12-24(16)15-17-6-5-7-18-21(17)23-11-10-22-18/h3-11,16H,12-15H2,1-2H3/t16-/m1/s1.
What are the key properties of 5-[[(2R)-4-(2-methoxyphenyl)-2-methylpiperazin-1-yl]methyl]quinoxaline?
5-[[(2R)-4-(2-methoxyphenyl)-2-methylpiperazin-1-yl]methyl]quinoxaline has a molecular weight of 348.45 g/mol, XLogP of 3.35, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(2R)-4-(2-methoxyphenyl)-2-methylpiperazin-1-yl]methyl]quinoxaline is sourced from PubChem (CID 95719113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).