1-[4-(3-methoxyphenyl)cyclohex-3-en-1-yl]-4-phenylpiperazine

C23H28N2O — CID 11068038

IUPAC1-[4-(3-methoxyphenyl)cyclohex-3-en-1-yl]-4-phenylpiperazine
SMILESCOc1cccc(C2=CCC(N3CCN(c4ccccc4)CC3)CC2)c1
InChIInChI=1S/C23H28N2O/c1-26-23-9-5-6-20(18-23)19-10-12-22(13-11-19)25-16-14-24(15-17-25)21-7-3-2-4-8-21/h2-10,18,22H,11-17H2,1H3
InChIKeyMCVMARUOYHWORW-UHFFFAOYSA-N
MW348.49 g/mol
LogP4.45
Rot. Bonds4

About 1-[4-(3-methoxyphenyl)cyclohex-3-en-1-yl]-4-phenylpiperazine

1-[4-(3-methoxyphenyl)cyclohex-3-en-1-yl]-4-phenylpiperazine (PubChem CID 11068038) has the molecular formula C23H28N2O and a molecular weight of 348.49 g/mol. Its IUPAC name is 1-[4-(3-methoxyphenyl)cyclohex-3-en-1-yl]-4-phenylpiperazine.

Molecular Properties

Compound Name1-[4-(3-methoxyphenyl)cyclohex-3-en-1-yl]-4-phenylpiperazine
PubChem CID11068038
Molecular FormulaC23H28N2O
Molecular Weight348.49 g/mol
Exact Mass348.22
IUPAC Name1-[4-(3-methoxyphenyl)cyclohex-3-en-1-yl]-4-phenylpiperazine
SMILESCOc1cccc(C2=CCC(N3CCN(c4ccccc4)CC3)CC2)c1
InChIInChI=1S/C23H28N2O/c1-26-23-9-5-6-20(18-23)19-10-12-22(13-11-19)25-16-14-24(15-17-25)21-7-3-2-4-8-21/h2-10,18,22H,11-17H2,1H3
InChIKeyMCVMARUOYHWORW-UHFFFAOYSA-N
XLogP4.45
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.49
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-methoxyphenyl)cyclohex-3-en-1-yl]-4-phenylpiperazine?
The IUPAC name of 1-[4-(3-methoxyphenyl)cyclohex-3-en-1-yl]-4-phenylpiperazine (CID 11068038) is 1-[4-(3-methoxyphenyl)cyclohex-3-en-1-yl]-4-phenylpiperazine.
What is the SMILES notation for 1-[4-(3-methoxyphenyl)cyclohex-3-en-1-yl]-4-phenylpiperazine?
The canonical SMILES for 1-[4-(3-methoxyphenyl)cyclohex-3-en-1-yl]-4-phenylpiperazine is COc1cccc(C2=CCC(N3CCN(c4ccccc4)CC3)CC2)c1.
What is the InChIKey of 1-[4-(3-methoxyphenyl)cyclohex-3-en-1-yl]-4-phenylpiperazine?
The InChIKey is MCVMARUOYHWORW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O/c1-26-23-9-5-6-20(18-23)19-10-12-22(13-11-19)25-16-14-24(15-17-25)21-7-3-2-4-8-21/h2-10,18,22H,11-17H2,1H3.
What are the key properties of 1-[4-(3-methoxyphenyl)cyclohex-3-en-1-yl]-4-phenylpiperazine?
1-[4-(3-methoxyphenyl)cyclohex-3-en-1-yl]-4-phenylpiperazine has a molecular weight of 348.49 g/mol, XLogP of 4.45, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-methoxyphenyl)cyclohex-3-en-1-yl]-4-phenylpiperazine is sourced from PubChem (CID 11068038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).