1-cyclohexyl-4-[1-[4-[(R)-(4-methoxyphenyl)sulfinyl]phenyl]ethenyl]piperidine

C26H33NO2S — CID 71452756

IUPAC1-cyclohexyl-4-[1-[4-[(R)-(4-methoxyphenyl)sulfinyl]phenyl]ethenyl]piperidine
SMILESC=C(c1ccc([S@@](=O)c2ccc(OC)cc2)cc1)C1CCN(C2CCCCC2)CC1
InChIInChI=1S/C26H33NO2S/c1-20(22-16-18-27(19-17-22)23-6-4-3-5-7-23)21-8-12-25(13-9-21)30(28)26-14-10-24(29-2)11-15-26/h8-15,22-23H,1,3-7,16-19H2,2H3/t30-/m1/s1
InChIKeyOLZRBZLJTKELRL-SSEXGKCCSA-N
MW423.62 g/mol
LogP5.92
Rot. Bonds6

About 1-cyclohexyl-4-[1-[4-[(R)-(4-methoxyphenyl)sulfinyl]phenyl]ethenyl]piperidine

1-cyclohexyl-4-[1-[4-[(R)-(4-methoxyphenyl)sulfinyl]phenyl]ethenyl]piperidine (PubChem CID 71452756) has the molecular formula C26H33NO2S and a molecular weight of 423.62 g/mol. Its IUPAC name is 1-cyclohexyl-4-[1-[4-[(R)-(4-methoxyphenyl)sulfinyl]phenyl]ethenyl]piperidine.

Molecular Properties

Compound Name1-cyclohexyl-4-[1-[4-[(R)-(4-methoxyphenyl)sulfinyl]phenyl]ethenyl]piperidine
PubChem CID71452756
Molecular FormulaC26H33NO2S
Molecular Weight423.62 g/mol
Exact Mass423.22
IUPAC Name1-cyclohexyl-4-[1-[4-[(R)-(4-methoxyphenyl)sulfinyl]phenyl]ethenyl]piperidine
SMILESC=C(c1ccc([S@@](=O)c2ccc(OC)cc2)cc1)C1CCN(C2CCCCC2)CC1
InChIInChI=1S/C26H33NO2S/c1-20(22-16-18-27(19-17-22)23-6-4-3-5-7-23)21-8-12-25(13-9-21)30(28)26-14-10-24(29-2)11-15-26/h8-15,22-23H,1,3-7,16-19H2,2H3/t30-/m1/s1
InChIKeyOLZRBZLJTKELRL-SSEXGKCCSA-N
XLogP5.92
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.62
LogP ≤ 55.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-4-[1-[4-[(R)-(4-methoxyphenyl)sulfinyl]phenyl]ethenyl]piperidine?
The IUPAC name of 1-cyclohexyl-4-[1-[4-[(R)-(4-methoxyphenyl)sulfinyl]phenyl]ethenyl]piperidine (CID 71452756) is 1-cyclohexyl-4-[1-[4-[(R)-(4-methoxyphenyl)sulfinyl]phenyl]ethenyl]piperidine.
What is the SMILES notation for 1-cyclohexyl-4-[1-[4-[(R)-(4-methoxyphenyl)sulfinyl]phenyl]ethenyl]piperidine?
The canonical SMILES for 1-cyclohexyl-4-[1-[4-[(R)-(4-methoxyphenyl)sulfinyl]phenyl]ethenyl]piperidine is C=C(c1ccc([S@@](=O)c2ccc(OC)cc2)cc1)C1CCN(C2CCCCC2)CC1.
What is the InChIKey of 1-cyclohexyl-4-[1-[4-[(R)-(4-methoxyphenyl)sulfinyl]phenyl]ethenyl]piperidine?
The InChIKey is OLZRBZLJTKELRL-SSEXGKCCSA-N. The full InChI is InChI=1S/C26H33NO2S/c1-20(22-16-18-27(19-17-22)23-6-4-3-5-7-23)21-8-12-25(13-9-21)30(28)26-14-10-24(29-2)11-15-26/h8-15,22-23H,1,3-7,16-19H2,2H3/t30-/m1/s1.
What are the key properties of 1-cyclohexyl-4-[1-[4-[(R)-(4-methoxyphenyl)sulfinyl]phenyl]ethenyl]piperidine?
1-cyclohexyl-4-[1-[4-[(R)-(4-methoxyphenyl)sulfinyl]phenyl]ethenyl]piperidine has a molecular weight of 423.62 g/mol, XLogP of 5.92, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-4-[1-[4-[(R)-(4-methoxyphenyl)sulfinyl]phenyl]ethenyl]piperidine is sourced from PubChem (CID 71452756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).