1-[4-(3-methoxyphenyl)cyclohexyl]-4-phenylpiperazine

C23H30N2O — CID 10247330

IUPAC1-[4-(3-methoxyphenyl)cyclohexyl]-4-phenylpiperazine
SMILESCOc1cccc(C2CCC(N3CCN(c4ccccc4)CC3)CC2)c1
InChIInChI=1S/C23H30N2O/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/h2-9,18-19,22H,10-17H2,1H3
InChIKeyXCLCSOAFYUDOLP-UHFFFAOYSA-N
MW350.51 g/mol
LogP4.54
Rot. Bonds4

About 1-[4-(3-methoxyphenyl)cyclohexyl]-4-phenylpiperazine

1-[4-(3-methoxyphenyl)cyclohexyl]-4-phenylpiperazine (PubChem CID 10247330) has the molecular formula C23H30N2O and a molecular weight of 350.51 g/mol. Its IUPAC name is 1-[4-(3-methoxyphenyl)cyclohexyl]-4-phenylpiperazine.

Molecular Properties

Compound Name1-[4-(3-methoxyphenyl)cyclohexyl]-4-phenylpiperazine
PubChem CID10247330
Molecular FormulaC23H30N2O
Molecular Weight350.51 g/mol
Exact Mass350.24
IUPAC Name1-[4-(3-methoxyphenyl)cyclohexyl]-4-phenylpiperazine
SMILESCOc1cccc(C2CCC(N3CCN(c4ccccc4)CC3)CC2)c1
InChIInChI=1S/C23H30N2O/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/h2-9,18-19,22H,10-17H2,1H3
InChIKeyXCLCSOAFYUDOLP-UHFFFAOYSA-N
XLogP4.54
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.51
LogP ≤ 54.54
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)cyclohexyl]-4-phenylpiperazine?
The IUPAC name of 1-[4-(3-methoxyphenyl)cyclohexyl]-4-phenylpiperazine (CID 10247330) is 1-[4-(3-methoxyphenyl)cyclohexyl]-4-phenylpiperazine.
What is the SMILES notation for 1-[4-(3-methoxyphenyl)cyclohexyl]-4-phenylpiperazine?
The canonical SMILES for 1-[4-(3-methoxyphenyl)cyclohexyl]-4-phenylpiperazine is COc1cccc(C2CCC(N3CCN(c4ccccc4)CC3)CC2)c1.
What is the InChIKey of 1-[4-(3-methoxyphenyl)cyclohexyl]-4-phenylpiperazine?
The InChIKey is XCLCSOAFYUDOLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O/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/h2-9,18-19,22H,10-17H2,1H3.
What are the key properties of 1-[4-(3-methoxyphenyl)cyclohexyl]-4-phenylpiperazine?
1-[4-(3-methoxyphenyl)cyclohexyl]-4-phenylpiperazine has a molecular weight of 350.51 g/mol, XLogP of 4.54, 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)cyclohexyl]-4-phenylpiperazine is sourced from PubChem (CID 10247330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).