1-[2-[5-chloro-2-(2-phenylethoxy)phenyl]ethyl]-4-(2-methoxyphenyl)piperazine;dihydrochloride

C27H33Cl3N2O2 — CID 18986902

IUPAC1-[2-[5-chloro-2-(2-phenylethoxy)phenyl]ethyl]-4-(2-methoxyphenyl)piperazine;dihydrochloride
SMILESCOc1ccccc1N1CCN(CCc2cc(Cl)ccc2OCCc2ccccc2)CC1.Cl.Cl
InChIInChI=1S/C27H31ClN2O2.2ClH/c1-31-27-10-6-5-9-25(27)30-18-16-29(17-19-30)15-13-23-21-24(28)11-12-26(23)32-20-14-22-7-3-2-4-8-22;;/h2-12,21H,13-20H2,1H3;2*1H
InChIKeyUCAPZHPMFVDPRF-UHFFFAOYSA-N
MW523.93 g/mol
LogP6.18
Rot. Bonds9

About 1-[2-[5-chloro-2-(2-phenylethoxy)phenyl]ethyl]-4-(2-methoxyphenyl)piperazine;dihydrochloride

1-[2-[5-chloro-2-(2-phenylethoxy)phenyl]ethyl]-4-(2-methoxyphenyl)piperazine;dihydrochloride (PubChem CID 18986902) has the molecular formula C27H33Cl3N2O2 and a molecular weight of 523.93 g/mol. Its IUPAC name is 1-[2-[5-chloro-2-(2-phenylethoxy)phenyl]ethyl]-4-(2-methoxyphenyl)piperazine;dihydrochloride.

Molecular Properties

Compound Name1-[2-[5-chloro-2-(2-phenylethoxy)phenyl]ethyl]-4-(2-methoxyphenyl)piperazine;dihydrochloride
PubChem CID18986902
Molecular FormulaC27H33Cl3N2O2
Molecular Weight523.93 g/mol
Exact Mass522.16
IUPAC Name1-[2-[5-chloro-2-(2-phenylethoxy)phenyl]ethyl]-4-(2-methoxyphenyl)piperazine;dihydrochloride
SMILESCOc1ccccc1N1CCN(CCc2cc(Cl)ccc2OCCc2ccccc2)CC1.Cl.Cl
InChIInChI=1S/C27H31ClN2O2.2ClH/c1-31-27-10-6-5-9-25(27)30-18-16-29(17-19-30)15-13-23-21-24(28)11-12-26(23)32-20-14-22-7-3-2-4-8-22;;/h2-12,21H,13-20H2,1H3;2*1H
InChIKeyUCAPZHPMFVDPRF-UHFFFAOYSA-N
XLogP6.18
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500523.93
LogP ≤ 56.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[2-[5-chloro-2-(2-phenylethoxy)phenyl]ethyl]-4-(2-methoxyphenyl)piperazine;dihydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[2-[5-chloro-2-(2-phenylethoxy)phenyl]ethyl]-4-(2-methoxyphenyl)piperazine;dihydrochloride?
The IUPAC name of 1-[2-[5-chloro-2-(2-phenylethoxy)phenyl]ethyl]-4-(2-methoxyphenyl)piperazine;dihydrochloride (CID 18986902) is 1-[2-[5-chloro-2-(2-phenylethoxy)phenyl]ethyl]-4-(2-methoxyphenyl)piperazine;dihydrochloride.
What is the SMILES notation for 1-[2-[5-chloro-2-(2-phenylethoxy)phenyl]ethyl]-4-(2-methoxyphenyl)piperazine;dihydrochloride?
The canonical SMILES for 1-[2-[5-chloro-2-(2-phenylethoxy)phenyl]ethyl]-4-(2-methoxyphenyl)piperazine;dihydrochloride is COc1ccccc1N1CCN(CCc2cc(Cl)ccc2OCCc2ccccc2)CC1.Cl.Cl.
What is the InChIKey of 1-[2-[5-chloro-2-(2-phenylethoxy)phenyl]ethyl]-4-(2-methoxyphenyl)piperazine;dihydrochloride?
The InChIKey is UCAPZHPMFVDPRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31ClN2O2.2ClH/c1-31-27-10-6-5-9-25(27)30-18-16-29(17-19-30)15-13-23-21-24(28)11-12-26(23)32-20-14-22-7-3-2-4-8-22;;/h2-12,21H,13-20H2,1H3;2*1H.
What are the key properties of 1-[2-[5-chloro-2-(2-phenylethoxy)phenyl]ethyl]-4-(2-methoxyphenyl)piperazine;dihydrochloride?
1-[2-[5-chloro-2-(2-phenylethoxy)phenyl]ethyl]-4-(2-methoxyphenyl)piperazine;dihydrochloride has a molecular weight of 523.93 g/mol, XLogP of 6.18, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[5-chloro-2-(2-phenylethoxy)phenyl]ethyl]-4-(2-methoxyphenyl)piperazine;dihydrochloride is sourced from PubChem (CID 18986902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).