1-(2-methoxyphenyl)-4-[[3-(2-methoxyphenyl)-4-methylphenyl]methyl]piperazine

C26H30N2O2 — CID 134137104

IUPAC1-(2-methoxyphenyl)-4-[[3-(2-methoxyphenyl)-4-methylphenyl]methyl]piperazine
SMILESCOc1ccccc1-c1cc(CN2CCN(c3ccccc3OC)CC2)ccc1C
InChIInChI=1S/C26H30N2O2/c1-20-12-13-21(18-23(20)22-8-4-6-10-25(22)29-2)19-27-14-16-28(17-15-27)24-9-5-7-11-26(24)30-3/h4-13,18H,14-17,19H2,1-3H3
InChIKeyWTFGXOKFZFZQTP-UHFFFAOYSA-N
MW402.54 g/mol
LogP5.00
Rot. Bonds6

About 1-(2-methoxyphenyl)-4-[[3-(2-methoxyphenyl)-4-methylphenyl]methyl]piperazine

1-(2-methoxyphenyl)-4-[[3-(2-methoxyphenyl)-4-methylphenyl]methyl]piperazine (PubChem CID 134137104) has the molecular formula C26H30N2O2 and a molecular weight of 402.54 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-4-[[3-(2-methoxyphenyl)-4-methylphenyl]methyl]piperazine.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-4-[[3-(2-methoxyphenyl)-4-methylphenyl]methyl]piperazine
PubChem CID134137104
Molecular FormulaC26H30N2O2
Molecular Weight402.54 g/mol
Exact Mass402.23
IUPAC Name1-(2-methoxyphenyl)-4-[[3-(2-methoxyphenyl)-4-methylphenyl]methyl]piperazine
SMILESCOc1ccccc1-c1cc(CN2CCN(c3ccccc3OC)CC2)ccc1C
InChIInChI=1S/C26H30N2O2/c1-20-12-13-21(18-23(20)22-8-4-6-10-25(22)29-2)19-27-14-16-28(17-15-27)24-9-5-7-11-26(24)30-3/h4-13,18H,14-17,19H2,1-3H3
InChIKeyWTFGXOKFZFZQTP-UHFFFAOYSA-N
XLogP5.00
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.54
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Naftopidil
CID 4418
1-(2-Methoxy-phenyl)-4-[3-(1,2,3,4-tetrahydro-naphthalen-1-yl)-propyl]-piperazine
CID 10067369
1-[3-(5-Methoxy-1,2,3,4-tetrahydro-naphthalen-1-yl)-propyl]-4-phenyl-piperazine
CID 10361439
1-(2-Methoxy-phenyl)-4-[3-(5-methoxy-1,2,3,4-tetrahydro-naphthalen-1-yl)-propyl]-piperazine
CID 10385977
Piperazine, 1-(2-methoxyphenyl)-4-(2-phenylethyl)-
CID 3826471
1-((2,6-Dimethylphenoxy)propyl)-4-(2-methoxyphenyl)piperazine hydrochloride
CID 54598062
1-[(2,4,6-Trimethylphenoxy)propyl]-4-(2-methoxyphenyl)piperazine hydrochloride (4)
CID 91937906
1-[(3E)-3-(5-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)propyl]-4-(2-methoxyphenyl)piperazine
CID 10475634
19-Methoxy-5-methyl-2,5-diazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),8,10,12,16,18-hexaene
CID 9882594
1-(2-Methoxyphenyl)-4-[4-(3-methoxyphenyl)cyclohexyl]piperazine
CID 10091187
1-(2-Methoxyphenyl)-4-(4-phenylbutyl)piperazine
CID 44276571
Naftopidil, (R)-
CID 6603939

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-4-[[3-(2-methoxyphenyl)-4-methylphenyl]methyl]piperazine?
The IUPAC name of 1-(2-methoxyphenyl)-4-[[3-(2-methoxyphenyl)-4-methylphenyl]methyl]piperazine (CID 134137104) is 1-(2-methoxyphenyl)-4-[[3-(2-methoxyphenyl)-4-methylphenyl]methyl]piperazine.
What is the SMILES notation for 1-(2-methoxyphenyl)-4-[[3-(2-methoxyphenyl)-4-methylphenyl]methyl]piperazine?
The canonical SMILES for 1-(2-methoxyphenyl)-4-[[3-(2-methoxyphenyl)-4-methylphenyl]methyl]piperazine is COc1ccccc1-c1cc(CN2CCN(c3ccccc3OC)CC2)ccc1C.
What is the InChIKey of 1-(2-methoxyphenyl)-4-[[3-(2-methoxyphenyl)-4-methylphenyl]methyl]piperazine?
The InChIKey is WTFGXOKFZFZQTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N2O2/c1-20-12-13-21(18-23(20)22-8-4-6-10-25(22)29-2)19-27-14-16-28(17-15-27)24-9-5-7-11-26(24)30-3/h4-13,18H,14-17,19H2,1-3H3.
What are the key properties of 1-(2-methoxyphenyl)-4-[[3-(2-methoxyphenyl)-4-methylphenyl]methyl]piperazine?
1-(2-methoxyphenyl)-4-[[3-(2-methoxyphenyl)-4-methylphenyl]methyl]piperazine has a molecular weight of 402.54 g/mol, XLogP of 5.00, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-4-[[3-(2-methoxyphenyl)-4-methylphenyl]methyl]piperazine is sourced from PubChem (CID 134137104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).