(3R)-1-[(4-ethoxy-3-methoxyphenyl)methyl]-3-methylpiperazine

C15H24N2O2 — CID 96937266

IUPAC(3R)-1-[(4-ethoxy-3-methoxyphenyl)methyl]-3-methylpiperazine
SMILESCCOc1ccc(CN2CCN[C@H](C)C2)cc1OC
InChIInChI=1S/C15H24N2O2/c1-4-19-14-6-5-13(9-15(14)18-3)11-17-8-7-16-12(2)10-17/h5-6,9,12,16H,4,7-8,10-11H2,1-3H3/t12-/m1/s1
InChIKeyQBTAAKGWOQFEAA-GFCCVEGCSA-N
MW264.37 g/mol
LogP1.89
Rot. Bonds5

About (3R)-1-[(4-ethoxy-3-methoxyphenyl)methyl]-3-methylpiperazine

(3R)-1-[(4-ethoxy-3-methoxyphenyl)methyl]-3-methylpiperazine (PubChem CID 96937266) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is (3R)-1-[(4-ethoxy-3-methoxyphenyl)methyl]-3-methylpiperazine.

Molecular Properties

Compound Name(3R)-1-[(4-ethoxy-3-methoxyphenyl)methyl]-3-methylpiperazine
PubChem CID96937266
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name(3R)-1-[(4-ethoxy-3-methoxyphenyl)methyl]-3-methylpiperazine
SMILESCCOc1ccc(CN2CCN[C@H](C)C2)cc1OC
InChIInChI=1S/C15H24N2O2/c1-4-19-14-6-5-13(9-15(14)18-3)11-17-8-7-16-12(2)10-17/h5-6,9,12,16H,4,7-8,10-11H2,1-3H3/t12-/m1/s1
InChIKeyQBTAAKGWOQFEAA-GFCCVEGCSA-N
XLogP1.89
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-1-[(3-ethoxy-4-methoxyphenyl)methyl]-3-methylpiperazine
CID 96937270
(3S)-1-[(3-methoxy-4-methylphenyl)methyl]-3-methylpiperazine
CID 120845778
(3S)-1-[(4-methoxy-3-methylphenyl)methyl]-3-methylpiperazine
CID 95450816
1-[(3-chloro-4-methoxyphenyl)methyl]-3-methylpiperazine
CID 65419171
(3R)-1-[(4-chloro-3-methoxyphenyl)methyl]-3-methylpiperazine
CID 168510109
1-[(3-fluoro-4-methoxyphenyl)methyl]-3-methylpiperazine
CID 64834581
1-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-3-methylpiperazine
CID 65416136
1-[(4-methoxy-3-nitrophenyl)methyl]-3-methylpiperazine;hydrochloride
CID 119924418
(3S)-1-[(4-methoxyphenyl)methyl]-3-methylpiperazine
CID 66524664
(3R)-1-[(4-methoxyphenyl)methyl]-3-methylpiperazine
CID 86328502
1-[(3-bromo-4-methoxyphenyl)methyl]-3-methyl-1,4-diazepane
CID 64859030
1-[(2-methoxy-5-methylphenyl)methyl]-3-methylpiperazine;hydrochloride
CID 119924453

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[(4-ethoxy-3-methoxyphenyl)methyl]-3-methylpiperazine?
The IUPAC name of (3R)-1-[(4-ethoxy-3-methoxyphenyl)methyl]-3-methylpiperazine (CID 96937266) is (3R)-1-[(4-ethoxy-3-methoxyphenyl)methyl]-3-methylpiperazine.
What is the SMILES notation for (3R)-1-[(4-ethoxy-3-methoxyphenyl)methyl]-3-methylpiperazine?
The canonical SMILES for (3R)-1-[(4-ethoxy-3-methoxyphenyl)methyl]-3-methylpiperazine is CCOc1ccc(CN2CCN[C@H](C)C2)cc1OC.
What is the InChIKey of (3R)-1-[(4-ethoxy-3-methoxyphenyl)methyl]-3-methylpiperazine?
The InChIKey is QBTAAKGWOQFEAA-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-4-19-14-6-5-13(9-15(14)18-3)11-17-8-7-16-12(2)10-17/h5-6,9,12,16H,4,7-8,10-11H2,1-3H3/t12-/m1/s1.
What are the key properties of (3R)-1-[(4-ethoxy-3-methoxyphenyl)methyl]-3-methylpiperazine?
(3R)-1-[(4-ethoxy-3-methoxyphenyl)methyl]-3-methylpiperazine has a molecular weight of 264.37 g/mol, XLogP of 1.89, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[(4-ethoxy-3-methoxyphenyl)methyl]-3-methylpiperazine is sourced from PubChem (CID 96937266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).