1-cyclohexyl-4-[1-[4-(4-methoxyphenyl)sulfinylphenyl]ethyl]piperazine

C25H34N2O2S — CID 10180872

IUPAC1-cyclohexyl-4-[1-[4-(4-methoxyphenyl)sulfinylphenyl]ethyl]piperazine
SMILESCOc1ccc(S(=O)c2ccc(C(C)N3CCN(C4CCCCC4)CC3)cc2)cc1
InChIInChI=1S/C25H34N2O2S/c1-20(26-16-18-27(19-17-26)22-6-4-3-5-7-22)21-8-12-24(13-9-21)30(28)25-14-10-23(29-2)11-15-25/h8-15,20,22H,3-7,16-19H2,1-2H3
InChIKeyYQGXZPSEAUHNIN-UHFFFAOYSA-N
MW426.63 g/mol
LogP4.87
Rot. Bonds6

About 1-cyclohexyl-4-[1-[4-(4-methoxyphenyl)sulfinylphenyl]ethyl]piperazine

1-cyclohexyl-4-[1-[4-(4-methoxyphenyl)sulfinylphenyl]ethyl]piperazine (PubChem CID 10180872) has the molecular formula C25H34N2O2S and a molecular weight of 426.63 g/mol. Its IUPAC name is 1-cyclohexyl-4-[1-[4-(4-methoxyphenyl)sulfinylphenyl]ethyl]piperazine.

Molecular Properties

Compound Name1-cyclohexyl-4-[1-[4-(4-methoxyphenyl)sulfinylphenyl]ethyl]piperazine
PubChem CID10180872
Molecular FormulaC25H34N2O2S
Molecular Weight426.63 g/mol
Exact Mass426.23
IUPAC Name1-cyclohexyl-4-[1-[4-(4-methoxyphenyl)sulfinylphenyl]ethyl]piperazine
SMILESCOc1ccc(S(=O)c2ccc(C(C)N3CCN(C4CCCCC4)CC3)cc2)cc1
InChIInChI=1S/C25H34N2O2S/c1-20(26-16-18-27(19-17-26)22-6-4-3-5-7-22)21-8-12-24(13-9-21)30(28)25-14-10-23(29-2)11-15-25/h8-15,20,22H,3-7,16-19H2,1-2H3
InChIKeyYQGXZPSEAUHNIN-UHFFFAOYSA-N
XLogP4.87
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.63
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-4-[1-[4-(4-methoxyphenyl)sulfinylphenyl]ethyl]piperazine?
The IUPAC name of 1-cyclohexyl-4-[1-[4-(4-methoxyphenyl)sulfinylphenyl]ethyl]piperazine (CID 10180872) is 1-cyclohexyl-4-[1-[4-(4-methoxyphenyl)sulfinylphenyl]ethyl]piperazine.
What is the SMILES notation for 1-cyclohexyl-4-[1-[4-(4-methoxyphenyl)sulfinylphenyl]ethyl]piperazine?
The canonical SMILES for 1-cyclohexyl-4-[1-[4-(4-methoxyphenyl)sulfinylphenyl]ethyl]piperazine is COc1ccc(S(=O)c2ccc(C(C)N3CCN(C4CCCCC4)CC3)cc2)cc1.
What is the InChIKey of 1-cyclohexyl-4-[1-[4-(4-methoxyphenyl)sulfinylphenyl]ethyl]piperazine?
The InChIKey is YQGXZPSEAUHNIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N2O2S/c1-20(26-16-18-27(19-17-26)22-6-4-3-5-7-22)21-8-12-24(13-9-21)30(28)25-14-10-23(29-2)11-15-25/h8-15,20,22H,3-7,16-19H2,1-2H3.
What are the key properties of 1-cyclohexyl-4-[1-[4-(4-methoxyphenyl)sulfinylphenyl]ethyl]piperazine?
1-cyclohexyl-4-[1-[4-(4-methoxyphenyl)sulfinylphenyl]ethyl]piperazine has a molecular weight of 426.63 g/mol, XLogP of 4.87, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-4-[1-[4-(4-methoxyphenyl)sulfinylphenyl]ethyl]piperazine is sourced from PubChem (CID 10180872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).