1-(4-chlorophenyl)-4-[3-(4-methoxyphenoxy)-3-phenylpropyl]piperazine

C26H29ClN2O2 — CID 10765404

IUPAC1-(4-chlorophenyl)-4-[3-(4-methoxyphenoxy)-3-phenylpropyl]piperazine
SMILESCOc1ccc(OC(CCN2CCN(c3ccc(Cl)cc3)CC2)c2ccccc2)cc1
InChIInChI=1S/C26H29ClN2O2/c1-30-24-11-13-25(14-12-24)31-26(21-5-3-2-4-6-21)15-16-28-17-19-29(20-18-28)23-9-7-22(27)8-10-23/h2-14,26H,15-20H2,1H3
InChIKeyVYONZOVNZCVKFR-UHFFFAOYSA-N
MW436.98 g/mol
LogP5.68
Rot. Bonds8

About 1-(4-chlorophenyl)-4-[3-(4-methoxyphenoxy)-3-phenylpropyl]piperazine

1-(4-chlorophenyl)-4-[3-(4-methoxyphenoxy)-3-phenylpropyl]piperazine (PubChem CID 10765404) has the molecular formula C26H29ClN2O2 and a molecular weight of 436.98 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-4-[3-(4-methoxyphenoxy)-3-phenylpropyl]piperazine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-4-[3-(4-methoxyphenoxy)-3-phenylpropyl]piperazine
PubChem CID10765404
Molecular FormulaC26H29ClN2O2
Molecular Weight436.98 g/mol
Exact Mass436.19
IUPAC Name1-(4-chlorophenyl)-4-[3-(4-methoxyphenoxy)-3-phenylpropyl]piperazine
SMILESCOc1ccc(OC(CCN2CCN(c3ccc(Cl)cc3)CC2)c2ccccc2)cc1
InChIInChI=1S/C26H29ClN2O2/c1-30-24-11-13-25(14-12-24)31-26(21-5-3-2-4-6-21)15-16-28-17-19-29(20-18-28)23-9-7-22(27)8-10-23/h2-14,26H,15-20H2,1H3
InChIKeyVYONZOVNZCVKFR-UHFFFAOYSA-N
XLogP5.68
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.98
LogP ≤ 55.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-4-[3-(4-methoxyphenoxy)-3-phenylpropyl]piperazine?
The IUPAC name of 1-(4-chlorophenyl)-4-[3-(4-methoxyphenoxy)-3-phenylpropyl]piperazine (CID 10765404) is 1-(4-chlorophenyl)-4-[3-(4-methoxyphenoxy)-3-phenylpropyl]piperazine.
What is the SMILES notation for 1-(4-chlorophenyl)-4-[3-(4-methoxyphenoxy)-3-phenylpropyl]piperazine?
The canonical SMILES for 1-(4-chlorophenyl)-4-[3-(4-methoxyphenoxy)-3-phenylpropyl]piperazine is COc1ccc(OC(CCN2CCN(c3ccc(Cl)cc3)CC2)c2ccccc2)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-4-[3-(4-methoxyphenoxy)-3-phenylpropyl]piperazine?
The InChIKey is VYONZOVNZCVKFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29ClN2O2/c1-30-24-11-13-25(14-12-24)31-26(21-5-3-2-4-6-21)15-16-28-17-19-29(20-18-28)23-9-7-22(27)8-10-23/h2-14,26H,15-20H2,1H3.
What are the key properties of 1-(4-chlorophenyl)-4-[3-(4-methoxyphenoxy)-3-phenylpropyl]piperazine?
1-(4-chlorophenyl)-4-[3-(4-methoxyphenoxy)-3-phenylpropyl]piperazine has a molecular weight of 436.98 g/mol, XLogP of 5.68, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-4-[3-(4-methoxyphenoxy)-3-phenylpropyl]piperazine is sourced from PubChem (CID 10765404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).