1-[4-(3-ethoxyphenyl)oxan-4-yl]-4-phenylpiperazine

C23H30N2O2 — CID 18357249

IUPAC1-[4-(3-ethoxyphenyl)oxan-4-yl]-4-phenylpiperazine
SMILESCCOc1cccc(C2(N3CCN(c4ccccc4)CC3)CCOCC2)c1
InChIInChI=1S/C23H30N2O2/c1-2-27-22-10-6-7-20(19-22)23(11-17-26-18-12-23)25-15-13-24(14-16-25)21-8-4-3-5-9-21/h3-10,19H,2,11-18H2,1H3
InChIKeyHZWGTUBAYUCSJT-UHFFFAOYSA-N
MW366.51 g/mol
LogP3.91
Rot. Bonds5

About 1-[4-(3-ethoxyphenyl)oxan-4-yl]-4-phenylpiperazine

1-[4-(3-ethoxyphenyl)oxan-4-yl]-4-phenylpiperazine (PubChem CID 18357249) has the molecular formula C23H30N2O2 and a molecular weight of 366.51 g/mol. Its IUPAC name is 1-[4-(3-ethoxyphenyl)oxan-4-yl]-4-phenylpiperazine.

Molecular Properties

Compound Name1-[4-(3-ethoxyphenyl)oxan-4-yl]-4-phenylpiperazine
PubChem CID18357249
Molecular FormulaC23H30N2O2
Molecular Weight366.51 g/mol
Exact Mass366.23
IUPAC Name1-[4-(3-ethoxyphenyl)oxan-4-yl]-4-phenylpiperazine
SMILESCCOc1cccc(C2(N3CCN(c4ccccc4)CC3)CCOCC2)c1
InChIInChI=1S/C23H30N2O2/c1-2-27-22-10-6-7-20(19-22)23(11-17-26-18-12-23)25-15-13-24(14-16-25)21-8-4-3-5-9-21/h3-10,19H,2,11-18H2,1H3
InChIKeyHZWGTUBAYUCSJT-UHFFFAOYSA-N
XLogP3.91
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.51
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-ethoxyphenyl)oxan-4-yl]-4-phenylpiperazine?
The IUPAC name of 1-[4-(3-ethoxyphenyl)oxan-4-yl]-4-phenylpiperazine (CID 18357249) is 1-[4-(3-ethoxyphenyl)oxan-4-yl]-4-phenylpiperazine.
What is the SMILES notation for 1-[4-(3-ethoxyphenyl)oxan-4-yl]-4-phenylpiperazine?
The canonical SMILES for 1-[4-(3-ethoxyphenyl)oxan-4-yl]-4-phenylpiperazine is CCOc1cccc(C2(N3CCN(c4ccccc4)CC3)CCOCC2)c1.
What is the InChIKey of 1-[4-(3-ethoxyphenyl)oxan-4-yl]-4-phenylpiperazine?
The InChIKey is HZWGTUBAYUCSJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O2/c1-2-27-22-10-6-7-20(19-22)23(11-17-26-18-12-23)25-15-13-24(14-16-25)21-8-4-3-5-9-21/h3-10,19H,2,11-18H2,1H3.
What are the key properties of 1-[4-(3-ethoxyphenyl)oxan-4-yl]-4-phenylpiperazine?
1-[4-(3-ethoxyphenyl)oxan-4-yl]-4-phenylpiperazine has a molecular weight of 366.51 g/mol, XLogP of 3.91, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-ethoxyphenyl)oxan-4-yl]-4-phenylpiperazine is sourced from PubChem (CID 18357249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).