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

C26H35NO2S — CID 10274019

IUPAC1-cyclohexyl-4-[1-[4-(4-methoxyphenyl)sulfinylphenyl]ethyl]piperidine
SMILESCOc1ccc(S(=O)c2ccc(C(C)C3CCN(C4CCCCC4)CC3)cc2)cc1
InChIInChI=1S/C26H35NO2S/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/h8-15,20,22-23H,3-7,16-19H2,1-2H3
InChIKeyNDXFHBBFUCQHAL-UHFFFAOYSA-N
MW425.64 g/mol
LogP6.01
Rot. Bonds6

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

1-cyclohexyl-4-[1-[4-(4-methoxyphenyl)sulfinylphenyl]ethyl]piperidine (PubChem CID 10274019) has the molecular formula C26H35NO2S and a molecular weight of 425.64 g/mol. Its IUPAC name is 1-cyclohexyl-4-[1-[4-(4-methoxyphenyl)sulfinylphenyl]ethyl]piperidine.

Molecular Properties

Compound Name1-cyclohexyl-4-[1-[4-(4-methoxyphenyl)sulfinylphenyl]ethyl]piperidine
PubChem CID10274019
Molecular FormulaC26H35NO2S
Molecular Weight425.64 g/mol
Exact Mass425.24
IUPAC Name1-cyclohexyl-4-[1-[4-(4-methoxyphenyl)sulfinylphenyl]ethyl]piperidine
SMILESCOc1ccc(S(=O)c2ccc(C(C)C3CCN(C4CCCCC4)CC3)cc2)cc1
InChIInChI=1S/C26H35NO2S/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/h8-15,20,22-23H,3-7,16-19H2,1-2H3
InChIKeyNDXFHBBFUCQHAL-UHFFFAOYSA-N
XLogP6.01
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.64
LogP ≤ 56.01
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-(4-methoxyphenyl)sulfinylphenyl]ethyl]piperidine?
The IUPAC name of 1-cyclohexyl-4-[1-[4-(4-methoxyphenyl)sulfinylphenyl]ethyl]piperidine (CID 10274019) is 1-cyclohexyl-4-[1-[4-(4-methoxyphenyl)sulfinylphenyl]ethyl]piperidine.
What is the SMILES notation for 1-cyclohexyl-4-[1-[4-(4-methoxyphenyl)sulfinylphenyl]ethyl]piperidine?
The canonical SMILES for 1-cyclohexyl-4-[1-[4-(4-methoxyphenyl)sulfinylphenyl]ethyl]piperidine is COc1ccc(S(=O)c2ccc(C(C)C3CCN(C4CCCCC4)CC3)cc2)cc1.
What is the InChIKey of 1-cyclohexyl-4-[1-[4-(4-methoxyphenyl)sulfinylphenyl]ethyl]piperidine?
The InChIKey is NDXFHBBFUCQHAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35NO2S/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/h8-15,20,22-23H,3-7,16-19H2,1-2H3.
What are the key properties of 1-cyclohexyl-4-[1-[4-(4-methoxyphenyl)sulfinylphenyl]ethyl]piperidine?
1-cyclohexyl-4-[1-[4-(4-methoxyphenyl)sulfinylphenyl]ethyl]piperidine has a molecular weight of 425.64 g/mol, XLogP of 6.01, 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-(4-methoxyphenyl)sulfinylphenyl]ethyl]piperidine is sourced from PubChem (CID 10274019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).