3-[1-(3,4-dimethoxyphenyl)ethyl]-1-(3-phenylpropyl)piperazine

C23H32N2O2 — CID 67633791

IUPAC3-[1-(3,4-dimethoxyphenyl)ethyl]-1-(3-phenylpropyl)piperazine
SMILESCOc1ccc(C(C)C2CN(CCCc3ccccc3)CCN2)cc1OC
InChIInChI=1S/C23H32N2O2/c1-18(20-11-12-22(26-2)23(16-20)27-3)21-17-25(15-13-24-21)14-7-10-19-8-5-4-6-9-19/h4-6,8-9,11-12,16,18,21,24H,7,10,13-15,17H2,1-3H3
InChIKeyREYONDXDXDVBGK-UHFFFAOYSA-N
MW368.52 g/mol
LogP3.71
Rot. Bonds8

About 3-[1-(3,4-dimethoxyphenyl)ethyl]-1-(3-phenylpropyl)piperazine

3-[1-(3,4-dimethoxyphenyl)ethyl]-1-(3-phenylpropyl)piperazine (PubChem CID 67633791) has the molecular formula C23H32N2O2 and a molecular weight of 368.52 g/mol. Its IUPAC name is 3-[1-(3,4-dimethoxyphenyl)ethyl]-1-(3-phenylpropyl)piperazine.

Molecular Properties

Compound Name3-[1-(3,4-dimethoxyphenyl)ethyl]-1-(3-phenylpropyl)piperazine
PubChem CID67633791
Molecular FormulaC23H32N2O2
Molecular Weight368.52 g/mol
Exact Mass368.25
IUPAC Name3-[1-(3,4-dimethoxyphenyl)ethyl]-1-(3-phenylpropyl)piperazine
SMILESCOc1ccc(C(C)C2CN(CCCc3ccccc3)CCN2)cc1OC
InChIInChI=1S/C23H32N2O2/c1-18(20-11-12-22(26-2)23(16-20)27-3)21-17-25(15-13-24-21)14-7-10-19-8-5-4-6-9-19/h4-6,8-9,11-12,16,18,21,24H,7,10,13-15,17H2,1-3H3
InChIKeyREYONDXDXDVBGK-UHFFFAOYSA-N
XLogP3.71
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.52
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[1-(2,5-dimethoxyphenyl)ethyl]-1-(3-phenylpropyl)piperazine
CID 67634190
1-[3-(3,4-dimethoxyphenyl)propyl]-4-(3-phenylpropyl)piperazine;dihydrochloride
CID 18933219
3-[2-(2,5-dimethoxyphenyl)ethyl]-1-(3-phenylpropyl)piperazine;dihydrochloride
CID 67634191
1-(3,4-dimethoxyphenyl)-4-phenylbutan-1-amine
CID 62606434
3-(2-methoxy-2,2-diphenylethyl)-1-(3-phenylpropyl)piperazine
CID 67576444
(1S)-1-[(2S)-4-benzylpiperazin-2-yl]ethanol
CID 92978714
(3R)-1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[1-(3,4-dimethoxyphenyl)ethyl]piperazine
CID 69472148
1-[3-(4-methoxy-3-propan-2-yloxyphenyl)propyl]piperazine
CID 82160589
(3S)-3-methyl-1-(2-phenylethyl)piperazine
CID 95243884
3-cyclohexyl-1-(3-phenylpropyl)piperazine
CID 64834291
2-(3,4-dimethoxyphenyl)-N-methyl-N-[1-(3-phenylpropyl)piperidin-3-yl]acetamide
CID 45222340
1-benzyl-N-[1-(3,4-dimethoxyphenyl)ethyl]pyrrolidin-3-amine
CID 113223845

Frequently Asked Questions

What is the IUPAC name of 3-[1-(3,4-dimethoxyphenyl)ethyl]-1-(3-phenylpropyl)piperazine?
The IUPAC name of 3-[1-(3,4-dimethoxyphenyl)ethyl]-1-(3-phenylpropyl)piperazine (CID 67633791) is 3-[1-(3,4-dimethoxyphenyl)ethyl]-1-(3-phenylpropyl)piperazine.
What is the SMILES notation for 3-[1-(3,4-dimethoxyphenyl)ethyl]-1-(3-phenylpropyl)piperazine?
The canonical SMILES for 3-[1-(3,4-dimethoxyphenyl)ethyl]-1-(3-phenylpropyl)piperazine is COc1ccc(C(C)C2CN(CCCc3ccccc3)CCN2)cc1OC.
What is the InChIKey of 3-[1-(3,4-dimethoxyphenyl)ethyl]-1-(3-phenylpropyl)piperazine?
The InChIKey is REYONDXDXDVBGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N2O2/c1-18(20-11-12-22(26-2)23(16-20)27-3)21-17-25(15-13-24-21)14-7-10-19-8-5-4-6-9-19/h4-6,8-9,11-12,16,18,21,24H,7,10,13-15,17H2,1-3H3.
What are the key properties of 3-[1-(3,4-dimethoxyphenyl)ethyl]-1-(3-phenylpropyl)piperazine?
3-[1-(3,4-dimethoxyphenyl)ethyl]-1-(3-phenylpropyl)piperazine has a molecular weight of 368.52 g/mol, XLogP of 3.71, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(3,4-dimethoxyphenyl)ethyl]-1-(3-phenylpropyl)piperazine is sourced from PubChem (CID 67633791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).