(3R)-1-[(2-methoxyphenyl)methyl]-3-methylpiperazine

C13H20N2O — CID 95443854

IUPAC(3R)-1-[(2-methoxyphenyl)methyl]-3-methylpiperazine
SMILESCOc1ccccc1CN1CCN[C@H](C)C1
InChIInChI=1S/C13H20N2O/c1-11-9-15(8-7-14-11)10-12-5-3-4-6-13(12)16-2/h3-6,11,14H,7-10H2,1-2H3/t11-/m1/s1
InChIKeyWUYLPBJWMRTMBZ-LLVKDONJSA-N
MW220.32 g/mol
LogP1.49
Rot. Bonds3

About (3R)-1-[(2-methoxyphenyl)methyl]-3-methylpiperazine

(3R)-1-[(2-methoxyphenyl)methyl]-3-methylpiperazine (PubChem CID 95443854) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is (3R)-1-[(2-methoxyphenyl)methyl]-3-methylpiperazine.

Molecular Properties

Compound Name(3R)-1-[(2-methoxyphenyl)methyl]-3-methylpiperazine
PubChem CID95443854
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name(3R)-1-[(2-methoxyphenyl)methyl]-3-methylpiperazine
SMILESCOc1ccccc1CN1CCN[C@H](C)C1
InChIInChI=1S/C13H20N2O/c1-11-9-15(8-7-14-11)10-12-5-3-4-6-13(12)16-2/h3-6,11,14H,7-10H2,1-2H3/t11-/m1/s1
InChIKeyWUYLPBJWMRTMBZ-LLVKDONJSA-N
XLogP1.49
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2-fluoro-3-methoxyphenyl)methyl]-3-methylpiperazine
CID 83811098
1-[(2-methoxyphenyl)methyl]-3,5-dimethylpiperazine
CID 63863865
(3R)-1-[(4-bromo-2-methoxyphenyl)methyl]-3-methylpiperazine
CID 168510186
1-[(2-methoxy-5-methylphenyl)methyl]-3-methylpiperazine;hydrochloride
CID 119924453
(3S)-1-[(2-bromophenyl)methyl]-3-methylpiperazine
CID 95243882
1-[(2-fluoro-3-methoxyphenyl)methyl]-3-methyl-1,4-diazepane
CID 113453941
(3R)-1-[(3-fluoro-2-methoxyphenyl)methyl]-3-methylpiperazine
CID 167713386
1-[(3-methoxythiophen-2-yl)methyl]-3-methylpiperazine
CID 115879777
(3R)-1-[(2,3-dimethylphenyl)methyl]-3-methylpiperazine
CID 96906172
1-[(2-methoxyphenyl)methyl]pyrrolidin-3-ol
CID 24904459
(2S,6S)-4-[(2-methoxyphenyl)methyl]-2,6-dimethylmorpholine
CID 6937591
1-[(2-fluoro-3-methylphenyl)methyl]-3-methylpiperazine
CID 83811096

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[(2-methoxyphenyl)methyl]-3-methylpiperazine?
The IUPAC name of (3R)-1-[(2-methoxyphenyl)methyl]-3-methylpiperazine (CID 95443854) is (3R)-1-[(2-methoxyphenyl)methyl]-3-methylpiperazine.
What is the SMILES notation for (3R)-1-[(2-methoxyphenyl)methyl]-3-methylpiperazine?
The canonical SMILES for (3R)-1-[(2-methoxyphenyl)methyl]-3-methylpiperazine is COc1ccccc1CN1CCN[C@H](C)C1.
What is the InChIKey of (3R)-1-[(2-methoxyphenyl)methyl]-3-methylpiperazine?
The InChIKey is WUYLPBJWMRTMBZ-LLVKDONJSA-N. The full InChI is InChI=1S/C13H20N2O/c1-11-9-15(8-7-14-11)10-12-5-3-4-6-13(12)16-2/h3-6,11,14H,7-10H2,1-2H3/t11-/m1/s1.
What are the key properties of (3R)-1-[(2-methoxyphenyl)methyl]-3-methylpiperazine?
(3R)-1-[(2-methoxyphenyl)methyl]-3-methylpiperazine has a molecular weight of 220.32 g/mol, XLogP of 1.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[(2-methoxyphenyl)methyl]-3-methylpiperazine is sourced from PubChem (CID 95443854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).