4-[4-(2-cyclohexylethoxy)phenyl]sulfonylpiperidine

C19H29NO3S — CID 59862389

IUPAC4-[4-(2-cyclohexylethoxy)phenyl]sulfonylpiperidine
SMILESO=S(=O)(c1ccc(OCCC2CCCCC2)cc1)C1CCNCC1
InChIInChI=1S/C19H29NO3S/c21-24(22,19-10-13-20-14-11-19)18-8-6-17(7-9-18)23-15-12-16-4-2-1-3-5-16/h6-9,16,19-20H,1-5,10-15H2
InChIKeyBRPIQMOHKOOMMG-UHFFFAOYSA-N
MW351.51 g/mol
LogP3.56
Rot. Bonds6

About 4-[4-(2-cyclohexylethoxy)phenyl]sulfonylpiperidine

4-[4-(2-cyclohexylethoxy)phenyl]sulfonylpiperidine (PubChem CID 59862389) has the molecular formula C19H29NO3S and a molecular weight of 351.51 g/mol. Its IUPAC name is 4-[4-(2-cyclohexylethoxy)phenyl]sulfonylpiperidine.

Molecular Properties

Compound Name4-[4-(2-cyclohexylethoxy)phenyl]sulfonylpiperidine
PubChem CID59862389
Molecular FormulaC19H29NO3S
Molecular Weight351.51 g/mol
Exact Mass351.19
IUPAC Name4-[4-(2-cyclohexylethoxy)phenyl]sulfonylpiperidine
SMILESO=S(=O)(c1ccc(OCCC2CCCCC2)cc1)C1CCNCC1
InChIInChI=1S/C19H29NO3S/c21-24(22,19-10-13-20-14-11-19)18-8-6-17(7-9-18)23-15-12-16-4-2-1-3-5-16/h6-9,16,19-20H,1-5,10-15H2
InChIKeyBRPIQMOHKOOMMG-UHFFFAOYSA-N
XLogP3.56
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.51
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-ethoxyphenyl)sulfonylpiperidine
CID 18538560
4-(4-ethoxyphenyl)sulfonylpiperidine;hydrochloride
CID 18538559
3-[2-(4-methylsulfonylphenoxy)ethyl]pyrrolidine
CID 114796528
4-(4-phenylmethoxyphenyl)sulfonylpiperidine
CID 59862358
4-[2-(4-bromophenoxy)ethyl]piperidine
CID 56830278
4-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]piperidine
CID 26192461
3-(4-ethoxyphenyl)sulfonylpyrrolidine
CID 82299275
1-butoxy-4-cyclopropylsulfonylbenzene
CID 170120338
4-[2-(4-propan-2-ylphenoxy)ethyl]piperidine
CID 29077906
butanedioate;ethane;4-(2-piperidin-4-ylethoxy)benzoate
CID 19748242
4-piperidin-4-ylsulfonylaniline
CID 67192184
2-amino-1-[4-(2-piperidin-4-ylethoxy)phenyl]ethanone;hydrochloride
CID 170861062

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-cyclohexylethoxy)phenyl]sulfonylpiperidine?
The IUPAC name of 4-[4-(2-cyclohexylethoxy)phenyl]sulfonylpiperidine (CID 59862389) is 4-[4-(2-cyclohexylethoxy)phenyl]sulfonylpiperidine.
What is the SMILES notation for 4-[4-(2-cyclohexylethoxy)phenyl]sulfonylpiperidine?
The canonical SMILES for 4-[4-(2-cyclohexylethoxy)phenyl]sulfonylpiperidine is O=S(=O)(c1ccc(OCCC2CCCCC2)cc1)C1CCNCC1.
What is the InChIKey of 4-[4-(2-cyclohexylethoxy)phenyl]sulfonylpiperidine?
The InChIKey is BRPIQMOHKOOMMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO3S/c21-24(22,19-10-13-20-14-11-19)18-8-6-17(7-9-18)23-15-12-16-4-2-1-3-5-16/h6-9,16,19-20H,1-5,10-15H2.
What are the key properties of 4-[4-(2-cyclohexylethoxy)phenyl]sulfonylpiperidine?
4-[4-(2-cyclohexylethoxy)phenyl]sulfonylpiperidine has a molecular weight of 351.51 g/mol, XLogP of 3.56, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-cyclohexylethoxy)phenyl]sulfonylpiperidine is sourced from PubChem (CID 59862389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).