1-[(2,4-dimethoxy-3-methylphenyl)methyl]-4-(3-phenylprop-2-enyl)piperazine

C23H30N2O2 — CID 1376874

IUPAC1-[(2,4-dimethoxy-3-methylphenyl)methyl]-4-(3-phenylprop-2-enyl)piperazine
SMILESCOc1ccc(CN2CCN(CC=Cc3ccccc3)CC2)c(OC)c1C
InChIInChI=1S/C23H30N2O2/c1-19-22(26-2)12-11-21(23(19)27-3)18-25-16-14-24(15-17-25)13-7-10-20-8-5-4-6-9-20/h4-12H,13-18H2,1-3H3
InChIKeyWFTWNFMKOSCBLC-UHFFFAOYSA-N
MW366.51 g/mol
LogP3.84
Rot. Bonds7

About 1-[(2,4-dimethoxy-3-methylphenyl)methyl]-4-(3-phenylprop-2-enyl)piperazine

1-[(2,4-dimethoxy-3-methylphenyl)methyl]-4-(3-phenylprop-2-enyl)piperazine (PubChem CID 1376874) has the molecular formula C23H30N2O2 and a molecular weight of 366.51 g/mol. Its IUPAC name is 1-[(2,4-dimethoxy-3-methylphenyl)methyl]-4-(3-phenylprop-2-enyl)piperazine.

Molecular Properties

Compound Name1-[(2,4-dimethoxy-3-methylphenyl)methyl]-4-(3-phenylprop-2-enyl)piperazine
PubChem CID1376874
Molecular FormulaC23H30N2O2
Molecular Weight366.51 g/mol
Exact Mass366.23
IUPAC Name1-[(2,4-dimethoxy-3-methylphenyl)methyl]-4-(3-phenylprop-2-enyl)piperazine
SMILESCOc1ccc(CN2CCN(CC=Cc3ccccc3)CC2)c(OC)c1C
InChIInChI=1S/C23H30N2O2/c1-19-22(26-2)12-11-21(23(19)27-3)18-25-16-14-24(15-17-25)13-7-10-20-8-5-4-6-9-20/h4-12H,13-18H2,1-3H3
InChIKeyWFTWNFMKOSCBLC-UHFFFAOYSA-N
XLogP3.84
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.51
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2-methylphenyl)methyl]-4-[(E)-3-phenylprop-2-enyl]piperazine
CID 1377377
4-methoxy-2-[[4-(3-phenylprop-2-enyl)piperazin-1-yl]methyl]phenol
CID 782278
4-[(2,4-dimethoxy-3-methylphenyl)methyl]thiomorpholine
CID 754053
1-[[3-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-2-methoxyphenyl]methyl]-4-(3-phenylprop-2-enyl)piperazine
CID 91079939
1-[(Z)-3-phenylprop-2-enyl]-4-[(2-prop-2-enoxyphenyl)methyl]piperazine
CID 2244938
1-[(2,4-dimethoxy-3-methylphenyl)methyl]-4-(2-ethoxyphenyl)piperazine
CID 1240306
N-[(2-methoxyphenyl)methyl]-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propanamide
CID 109021976
7-methoxy-4-[[4-(3-phenylprop-2-enyl)piperazin-1-yl]methyl]chromen-2-one
CID 3570603
3-(2,3-dimethoxyphenyl)-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propan-1-one
CID 9118704
2-(3,4-dimethoxyphenyl)-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethanone
CID 6025296
1-[(2-methylphenyl)methyl]-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine
CID 1126216
1-[(2,4-dimethoxy-3-methylphenyl)methyl]-4-(4-methoxyphenyl)piperazine
CID 1376801

Frequently Asked Questions

What is the IUPAC name of 1-[(2,4-dimethoxy-3-methylphenyl)methyl]-4-(3-phenylprop-2-enyl)piperazine?
The IUPAC name of 1-[(2,4-dimethoxy-3-methylphenyl)methyl]-4-(3-phenylprop-2-enyl)piperazine (CID 1376874) is 1-[(2,4-dimethoxy-3-methylphenyl)methyl]-4-(3-phenylprop-2-enyl)piperazine.
What is the SMILES notation for 1-[(2,4-dimethoxy-3-methylphenyl)methyl]-4-(3-phenylprop-2-enyl)piperazine?
The canonical SMILES for 1-[(2,4-dimethoxy-3-methylphenyl)methyl]-4-(3-phenylprop-2-enyl)piperazine is COc1ccc(CN2CCN(CC=Cc3ccccc3)CC2)c(OC)c1C.
What is the InChIKey of 1-[(2,4-dimethoxy-3-methylphenyl)methyl]-4-(3-phenylprop-2-enyl)piperazine?
The InChIKey is WFTWNFMKOSCBLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O2/c1-19-22(26-2)12-11-21(23(19)27-3)18-25-16-14-24(15-17-25)13-7-10-20-8-5-4-6-9-20/h4-12H,13-18H2,1-3H3.
What are the key properties of 1-[(2,4-dimethoxy-3-methylphenyl)methyl]-4-(3-phenylprop-2-enyl)piperazine?
1-[(2,4-dimethoxy-3-methylphenyl)methyl]-4-(3-phenylprop-2-enyl)piperazine has a molecular weight of 366.51 g/mol, XLogP of 3.84, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,4-dimethoxy-3-methylphenyl)methyl]-4-(3-phenylprop-2-enyl)piperazine is sourced from PubChem (CID 1376874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).