4-(4-chlorophenoxy)-1-(oxan-4-ylmethylsulfonyl)piperidine

C17H24ClNO4S — CID 142646745

IUPAC4-(4-chlorophenoxy)-1-(oxan-4-ylmethylsulfonyl)piperidine
SMILESO=S(=O)(CC1CCOCC1)N1CCC(Oc2ccc(Cl)cc2)CC1
InChIInChI=1S/C17H24ClNO4S/c18-15-1-3-16(4-2-15)23-17-5-9-19(10-6-17)24(20,21)13-14-7-11-22-12-8-14/h1-4,14,17H,5-13H2
InChIKeyQHEGMSMLCFBXGX-UHFFFAOYSA-N
MW373.90 g/mol
LogP2.94
Rot. Bonds5

About 4-(4-chlorophenoxy)-1-(oxan-4-ylmethylsulfonyl)piperidine

4-(4-chlorophenoxy)-1-(oxan-4-ylmethylsulfonyl)piperidine (PubChem CID 142646745) has the molecular formula C17H24ClNO4S and a molecular weight of 373.90 g/mol. Its IUPAC name is 4-(4-chlorophenoxy)-1-(oxan-4-ylmethylsulfonyl)piperidine.

Molecular Properties

Compound Name4-(4-chlorophenoxy)-1-(oxan-4-ylmethylsulfonyl)piperidine
PubChem CID142646745
Molecular FormulaC17H24ClNO4S
Molecular Weight373.90 g/mol
Exact Mass373.11
IUPAC Name4-(4-chlorophenoxy)-1-(oxan-4-ylmethylsulfonyl)piperidine
SMILESO=S(=O)(CC1CCOCC1)N1CCC(Oc2ccc(Cl)cc2)CC1
InChIInChI=1S/C17H24ClNO4S/c18-15-1-3-16(4-2-15)23-17-5-9-19(10-6-17)24(20,21)13-14-7-11-22-12-8-14/h1-4,14,17H,5-13H2
InChIKeyQHEGMSMLCFBXGX-UHFFFAOYSA-N
XLogP2.94
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.90
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[4-(4-chlorophenoxy)phenyl]sulfonylmethyl]oxane
CID 139746766
5-[[4-(4-chlorophenoxy)piperidin-1-yl]sulfonylmethyl]-5-methylimidazolidine-2,4-dione
CID 23133502
1-ethylsulfonyl-4-(4-fluorophenoxy)piperidine
CID 110396981
4-(4-chlorophenoxy)-1-ethylpiperidine;ethane
CID 143698369
2-amino-2-(4-chlorophenyl)-2-[4-(oxan-4-yloxy)phenyl]acetaldehyde
CID 87575413
(4-chlorophenyl) morpholine-4-sulfonate
CID 3680578
4-(4-chlorophenoxy)-N-(2H-triazol-4-ylmethyl)piperidine-1-sulfonamide
CID 25095933
2-[4-(4-chlorophenoxy)piperidin-1-yl]-2-oxoacetic acid
CID 69100024
4-(3-chlorophenoxy)-1-propylsulfonylpiperidine
CID 110358892
4-(1-methylsulfonylpiperidin-4-yl)oxyaniline
CID 90410534
4-(4-chlorophenoxy)cyclohexan-1-one
CID 58923771
lithium 4-(phenoxy)oxane
CID 134892153

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenoxy)-1-(oxan-4-ylmethylsulfonyl)piperidine?
The IUPAC name of 4-(4-chlorophenoxy)-1-(oxan-4-ylmethylsulfonyl)piperidine (CID 142646745) is 4-(4-chlorophenoxy)-1-(oxan-4-ylmethylsulfonyl)piperidine.
What is the SMILES notation for 4-(4-chlorophenoxy)-1-(oxan-4-ylmethylsulfonyl)piperidine?
The canonical SMILES for 4-(4-chlorophenoxy)-1-(oxan-4-ylmethylsulfonyl)piperidine is O=S(=O)(CC1CCOCC1)N1CCC(Oc2ccc(Cl)cc2)CC1.
What is the InChIKey of 4-(4-chlorophenoxy)-1-(oxan-4-ylmethylsulfonyl)piperidine?
The InChIKey is QHEGMSMLCFBXGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClNO4S/c18-15-1-3-16(4-2-15)23-17-5-9-19(10-6-17)24(20,21)13-14-7-11-22-12-8-14/h1-4,14,17H,5-13H2.
What are the key properties of 4-(4-chlorophenoxy)-1-(oxan-4-ylmethylsulfonyl)piperidine?
4-(4-chlorophenoxy)-1-(oxan-4-ylmethylsulfonyl)piperidine has a molecular weight of 373.90 g/mol, XLogP of 2.94, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenoxy)-1-(oxan-4-ylmethylsulfonyl)piperidine is sourced from PubChem (CID 142646745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).