2-methoxy-3-[[(3S)-3-methylpiperazin-1-yl]methyl]pyrazine

C11H18N4O — CID 97164844

IUPAC2-methoxy-3-[[(3S)-3-methylpiperazin-1-yl]methyl]pyrazine
SMILESCOc1nccnc1CN1CCN[C@@H](C)C1
InChIInChI=1S/C11H18N4O/c1-9-7-15(6-5-12-9)8-10-11(16-2)14-4-3-13-10/h3-4,9,12H,5-8H2,1-2H3/t9-/m0/s1
InChIKeyLAMVRORPQNDNQJ-VIFPVBQESA-N
MW222.29 g/mol
LogP0.28
Rot. Bonds3

About 2-methoxy-3-[[(3S)-3-methylpiperazin-1-yl]methyl]pyrazine

2-methoxy-3-[[(3S)-3-methylpiperazin-1-yl]methyl]pyrazine (PubChem CID 97164844) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is 2-methoxy-3-[[(3S)-3-methylpiperazin-1-yl]methyl]pyrazine.

Molecular Properties

Compound Name2-methoxy-3-[[(3S)-3-methylpiperazin-1-yl]methyl]pyrazine
PubChem CID97164844
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC Name2-methoxy-3-[[(3S)-3-methylpiperazin-1-yl]methyl]pyrazine
SMILESCOc1nccnc1CN1CCN[C@@H](C)C1
InChIInChI=1S/C11H18N4O/c1-9-7-15(6-5-12-9)8-10-11(16-2)14-4-3-13-10/h3-4,9,12H,5-8H2,1-2H3/t9-/m0/s1
InChIKeyLAMVRORPQNDNQJ-VIFPVBQESA-N
XLogP0.28
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-1-[(3,4-dimethoxy-2-pyridinyl)methyl]-3-methylpiperazine
CID 103173642
[(3S)-1-[(3-methoxypyrazin-2-yl)methyl]pyrrolidin-3-yl]methanamine
CID 97164834
[1-[(3-methoxypyrazin-2-yl)methyl]pyrrolidin-3-yl]methanamine;hydrochloride
CID 71642940
1-[(3-methoxypyrazin-2-yl)methyl]-N-methylpiperidin-3-amine;hydrochloride
CID 71642744
1-[(3-methoxypyrazin-2-yl)methyl]piperidine-3-carboxylic acid
CID 71648413
(3R)-1-[(4-methoxyphenyl)methyl]-3-methylpiperazine
CID 86328502
(3S)-1-[(4-methoxyphenyl)methyl]-3-methylpiperazine
CID 66524664
3-methyl-1-(pyridin-2-ylmethyl)piperazine;hydrochloride
CID 71639374
1-[(3-methoxythiophen-2-yl)methyl]-3-methylpiperazine
CID 115879777
(3R)-1-[(2-methoxyphenyl)methyl]-3-methylpiperazine
CID 95443854
(3R)-1-[(6-methoxy-2-pyridinyl)methyl]-3-methylpiperazine
CID 104975727
(3R)-1-[(2-ethylpyrazol-3-yl)methyl]-3-methylpiperazine
CID 103885908

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-3-[[(3S)-3-methylpiperazin-1-yl]methyl]pyrazine?
The IUPAC name of 2-methoxy-3-[[(3S)-3-methylpiperazin-1-yl]methyl]pyrazine (CID 97164844) is 2-methoxy-3-[[(3S)-3-methylpiperazin-1-yl]methyl]pyrazine.
What is the SMILES notation for 2-methoxy-3-[[(3S)-3-methylpiperazin-1-yl]methyl]pyrazine?
The canonical SMILES for 2-methoxy-3-[[(3S)-3-methylpiperazin-1-yl]methyl]pyrazine is COc1nccnc1CN1CCN[C@@H](C)C1.
What is the InChIKey of 2-methoxy-3-[[(3S)-3-methylpiperazin-1-yl]methyl]pyrazine?
The InChIKey is LAMVRORPQNDNQJ-VIFPVBQESA-N. The full InChI is InChI=1S/C11H18N4O/c1-9-7-15(6-5-12-9)8-10-11(16-2)14-4-3-13-10/h3-4,9,12H,5-8H2,1-2H3/t9-/m0/s1.
What are the key properties of 2-methoxy-3-[[(3S)-3-methylpiperazin-1-yl]methyl]pyrazine?
2-methoxy-3-[[(3S)-3-methylpiperazin-1-yl]methyl]pyrazine has a molecular weight of 222.29 g/mol, XLogP of 0.28, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-3-[[(3S)-3-methylpiperazin-1-yl]methyl]pyrazine is sourced from PubChem (CID 97164844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).