1-[1-(3,4-dimethoxyphenyl)propan-2-yl]-4-phenylpiperazine

C21H28N2O2 — CID 2846281

IUPAC1-[1-(3,4-dimethoxyphenyl)propan-2-yl]-4-phenylpiperazine
SMILESCOc1ccc(CC(C)N2CCN(c3ccccc3)CC2)cc1OC
InChIInChI=1S/C21H28N2O2/c1-17(15-18-9-10-20(24-2)21(16-18)25-3)22-11-13-23(14-12-22)19-7-5-4-6-8-19/h4-10,16-17H,11-15H2,1-3H3
InChIKeyQBFRAAGQDDTWNG-UHFFFAOYSA-N
MW340.47 g/mol
LogP3.46
Rot. Bonds6

About 1-[1-(3,4-dimethoxyphenyl)propan-2-yl]-4-phenylpiperazine

1-[1-(3,4-dimethoxyphenyl)propan-2-yl]-4-phenylpiperazine (PubChem CID 2846281) has the molecular formula C21H28N2O2 and a molecular weight of 340.47 g/mol. Its IUPAC name is 1-[1-(3,4-dimethoxyphenyl)propan-2-yl]-4-phenylpiperazine.

Molecular Properties

Compound Name1-[1-(3,4-dimethoxyphenyl)propan-2-yl]-4-phenylpiperazine
PubChem CID2846281
Molecular FormulaC21H28N2O2
Molecular Weight340.47 g/mol
Exact Mass340.22
IUPAC Name1-[1-(3,4-dimethoxyphenyl)propan-2-yl]-4-phenylpiperazine
SMILESCOc1ccc(CC(C)N2CCN(c3ccccc3)CC2)cc1OC
InChIInChI=1S/C21H28N2O2/c1-17(15-18-9-10-20(24-2)21(16-18)25-3)22-11-13-23(14-12-22)19-7-5-4-6-8-19/h4-10,16-17H,11-15H2,1-3H3
InChIKeyQBFRAAGQDDTWNG-UHFFFAOYSA-N
XLogP3.46
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Cutamesine
CID 9907323
Piperazine, 1-(3,4-dimethoxyphenethyl)-4-(o-ethoxyphenyl)-
CID 121102
3,4-Dimethoxy-N-(4-methoxyphenyl)benzylamine
CID 784220
Cutamesine C-11
CID 9820591
2-((2-(6,7-Dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)ethyl)amino)-N-(4-fluorophenyl)acetamide (34a)
CID 86766181
N'-[(4-methoxyphenyl)methyl]-N,N-dimethyl-N'-phenylethane-1,2-diamine
CID 44334052
1-[2-(1,3-Benzodioxol-5-yl)ethyl]-4-(2-methoxyphenyl)piperazine;hydrochloride
CID 53329787
3-{[2-(3,4-Dimethoxyphenyl)ethyl](methyl)amino}-1-phenylpyrrolidine-2,5-dione
CID 3679102
4-(3-(1,2-Dihydro-6-methoxynaphthalen-4-yl)-n-propyl)-1-(2-methoxyphenyl)piperazine
CID 192638
2-[2-(1,3-benzodioxol-5-yl)ethyl]-1-methyl-3,4-dihydro-2H-quinoline
CID 3009245
1-[3-(5-Methoxy-3,4-dihydro-naphthalen-1-yl)-propyl]-4-phenyl-piperazine
CID 10021562
1-[4-(7-Methoxy-3,4-dihydro-naphthalen-1-yl)-butyl]-4-(2-methoxy-phenyl)-piperazine
CID 10250792

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3,4-dimethoxyphenyl)propan-2-yl]-4-phenylpiperazine?
The IUPAC name of 1-[1-(3,4-dimethoxyphenyl)propan-2-yl]-4-phenylpiperazine (CID 2846281) is 1-[1-(3,4-dimethoxyphenyl)propan-2-yl]-4-phenylpiperazine.
What is the SMILES notation for 1-[1-(3,4-dimethoxyphenyl)propan-2-yl]-4-phenylpiperazine?
The canonical SMILES for 1-[1-(3,4-dimethoxyphenyl)propan-2-yl]-4-phenylpiperazine is COc1ccc(CC(C)N2CCN(c3ccccc3)CC2)cc1OC.
What is the InChIKey of 1-[1-(3,4-dimethoxyphenyl)propan-2-yl]-4-phenylpiperazine?
The InChIKey is QBFRAAGQDDTWNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O2/c1-17(15-18-9-10-20(24-2)21(16-18)25-3)22-11-13-23(14-12-22)19-7-5-4-6-8-19/h4-10,16-17H,11-15H2,1-3H3.
What are the key properties of 1-[1-(3,4-dimethoxyphenyl)propan-2-yl]-4-phenylpiperazine?
1-[1-(3,4-dimethoxyphenyl)propan-2-yl]-4-phenylpiperazine has a molecular weight of 340.47 g/mol, XLogP of 3.46, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3,4-dimethoxyphenyl)propan-2-yl]-4-phenylpiperazine is sourced from PubChem (CID 2846281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).