1-[2-[4-methoxy-3-(2-phenylethoxy)phenyl]ethyl]-4-phenylpiperazine

C27H32N2O2 — CID 10788071

IUPAC1-[2-[4-methoxy-3-(2-phenylethoxy)phenyl]ethyl]-4-phenylpiperazine
SMILESCOc1ccc(CCN2CCN(c3ccccc3)CC2)cc1OCCc1ccccc1
InChIInChI=1S/C27H32N2O2/c1-30-26-13-12-24(22-27(26)31-21-15-23-8-4-2-5-9-23)14-16-28-17-19-29(20-18-28)25-10-6-3-7-11-25/h2-13,22H,14-21H2,1H3
InChIKeyIIYBUMVBOAURQO-UHFFFAOYSA-N
MW416.57 g/mol
LogP4.68
Rot. Bonds9

About 1-[2-[4-methoxy-3-(2-phenylethoxy)phenyl]ethyl]-4-phenylpiperazine

1-[2-[4-methoxy-3-(2-phenylethoxy)phenyl]ethyl]-4-phenylpiperazine (PubChem CID 10788071) has the molecular formula C27H32N2O2 and a molecular weight of 416.57 g/mol. Its IUPAC name is 1-[2-[4-methoxy-3-(2-phenylethoxy)phenyl]ethyl]-4-phenylpiperazine.

Molecular Properties

Compound Name1-[2-[4-methoxy-3-(2-phenylethoxy)phenyl]ethyl]-4-phenylpiperazine
PubChem CID10788071
Molecular FormulaC27H32N2O2
Molecular Weight416.57 g/mol
Exact Mass416.25
IUPAC Name1-[2-[4-methoxy-3-(2-phenylethoxy)phenyl]ethyl]-4-phenylpiperazine
SMILESCOc1ccc(CCN2CCN(c3ccccc3)CC2)cc1OCCc1ccccc1
InChIInChI=1S/C27H32N2O2/c1-30-26-13-12-24(22-27(26)31-21-15-23-8-4-2-5-9-23)14-16-28-17-19-29(20-18-28)25-10-6-3-7-11-25/h2-13,22H,14-21H2,1H3
InChIKeyIIYBUMVBOAURQO-UHFFFAOYSA-N
XLogP4.68
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.57
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-methoxyphenyl)-4-[2-[4-methoxy-3-(2-phenylethoxy)phenyl]ethyl]piperazine;dihydrochloride
CID 18986838
1-[3-(3,4-dimethoxyphenyl)propyl]-4-(3-phenylpropyl)piperazine;dihydrochloride
CID 18933219
1-[[4-[2-(4-methoxyphenoxy)ethyl]phenyl]methyl]-4-phenylpiperazine
CID 155537825
N-[(4-chlorophenyl)methyl]-3-[3-methoxy-4-[2-(4-phenylpiperazin-1-yl)ethoxy]phenyl]propan-1-amine
CID 71277054
1-[2-(3,4-dimethoxyphenyl)ethyl]-2-methyl-3-[3-(4-phenylpiperazin-1-yl)propyl]guanidine
CID 111213771
4-[4-methoxy-3-[2-(4-phenylpiperazin-1-yl)ethoxy]phenyl]pyrrolidin-2-one
CID 3018452
2,6-dimethoxy-4-[(4-phenylpiperazin-1-yl)methyl]phenol
CID 791376
(3,4-dimethoxyphenyl)-[4-(2-phenylethyl)piperazin-1-yl]methanone
CID 22107891
1-[3-methoxy-4-[4-(4-phenylpiperazin-1-yl)butoxy]phenyl]ethanone
CID 18925
N-[(3,4-dimethoxyphenyl)methyl]-4-(2-phenylethyl)piperazine-1-carboxamide
CID 38198135
1-(2-phenylethyl)-4-[4-(piperazin-1-ylmethyl)phenyl]piperazine
CID 134565672
1-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-4-methylpiperazine
CID 782865

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-methoxy-3-(2-phenylethoxy)phenyl]ethyl]-4-phenylpiperazine?
The IUPAC name of 1-[2-[4-methoxy-3-(2-phenylethoxy)phenyl]ethyl]-4-phenylpiperazine (CID 10788071) is 1-[2-[4-methoxy-3-(2-phenylethoxy)phenyl]ethyl]-4-phenylpiperazine.
What is the SMILES notation for 1-[2-[4-methoxy-3-(2-phenylethoxy)phenyl]ethyl]-4-phenylpiperazine?
The canonical SMILES for 1-[2-[4-methoxy-3-(2-phenylethoxy)phenyl]ethyl]-4-phenylpiperazine is COc1ccc(CCN2CCN(c3ccccc3)CC2)cc1OCCc1ccccc1.
What is the InChIKey of 1-[2-[4-methoxy-3-(2-phenylethoxy)phenyl]ethyl]-4-phenylpiperazine?
The InChIKey is IIYBUMVBOAURQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N2O2/c1-30-26-13-12-24(22-27(26)31-21-15-23-8-4-2-5-9-23)14-16-28-17-19-29(20-18-28)25-10-6-3-7-11-25/h2-13,22H,14-21H2,1H3.
What are the key properties of 1-[2-[4-methoxy-3-(2-phenylethoxy)phenyl]ethyl]-4-phenylpiperazine?
1-[2-[4-methoxy-3-(2-phenylethoxy)phenyl]ethyl]-4-phenylpiperazine has a molecular weight of 416.57 g/mol, XLogP of 4.68, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-methoxy-3-(2-phenylethoxy)phenyl]ethyl]-4-phenylpiperazine is sourced from PubChem (CID 10788071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).