1-(4-chlorobutylsulfonyl)-4-(trifluoromethyl)piperidin-4-ol

C10H17ClF3NO3S — CID 91650308

IUPAC1-(4-chlorobutylsulfonyl)-4-(trifluoromethyl)piperidin-4-ol
SMILESO=S(=O)(CCCCCl)N1CCC(O)(C(F)(F)F)CC1
InChIInChI=1S/C10H17ClF3NO3S/c11-5-1-2-8-19(17,18)15-6-3-9(16,4-7-15)10(12,13)14/h16H,1-8H2
InChIKeyZBCMYICUZCFEPV-UHFFFAOYSA-N
MW323.76 g/mol
LogP1.72
Rot. Bonds5

About 1-(4-chlorobutylsulfonyl)-4-(trifluoromethyl)piperidin-4-ol

1-(4-chlorobutylsulfonyl)-4-(trifluoromethyl)piperidin-4-ol (PubChem CID 91650308) has the molecular formula C10H17ClF3NO3S and a molecular weight of 323.76 g/mol. Its IUPAC name is 1-(4-chlorobutylsulfonyl)-4-(trifluoromethyl)piperidin-4-ol.

Molecular Properties

Compound Name1-(4-chlorobutylsulfonyl)-4-(trifluoromethyl)piperidin-4-ol
PubChem CID91650308
Molecular FormulaC10H17ClF3NO3S
Molecular Weight323.76 g/mol
Exact Mass323.06
IUPAC Name1-(4-chlorobutylsulfonyl)-4-(trifluoromethyl)piperidin-4-ol
SMILESO=S(=O)(CCCCCl)N1CCC(O)(C(F)(F)F)CC1
InChIInChI=1S/C10H17ClF3NO3S/c11-5-1-2-8-19(17,18)15-6-3-9(16,4-7-15)10(12,13)14/h16H,1-8H2
InChIKeyZBCMYICUZCFEPV-UHFFFAOYSA-N
XLogP1.72
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.76
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

1-(2,2-Dimethylpropylsulfonyl)-4-(trifluoromethyl)piperidin-4-ol
CID 136540392
1-(4-Chlorobutylsulfonyl)-4-(trifluoromethyl)piperidine
CID 65758171
4-Methyl-1-(4,4,4-trifluorobutylsulfonyl)piperidin-4-ol
CID 83058232
4-(Chloromethyl)-1-(4,4,4-trifluorobutylsulfonyl)piperidine
CID 83060007
1-Propylsulfonyl-4-(trifluoromethyl)piperidin-4-ol
CID 109886326
1-Butylsulfonyl-4-(trifluoromethyl)piperidin-4-ol
CID 109886352
1-Ethylsulfonyl-4-(trifluoromethyl)piperidin-4-ol
CID 109917898
1-(3-Methylbutylsulfonyl)-4-(trifluoromethyl)piperidin-4-ol
CID 109917910
1-(2-Methylbutylsulfonyl)-4-(trifluoromethyl)piperidin-4-ol
CID 109917920
1-(2-Ethylbutylsulfonyl)-4-(trifluoromethyl)piperidin-4-ol
CID 109917921
1-(3-Chloro-2-methylpropyl)sulfonyl-4-methylpiperidin-4-ol
CID 81109294
1-(3-Chloropropylsulfonyl)-4-methylpiperidin-4-ol
CID 81109295

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorobutylsulfonyl)-4-(trifluoromethyl)piperidin-4-ol?
The IUPAC name of 1-(4-chlorobutylsulfonyl)-4-(trifluoromethyl)piperidin-4-ol (CID 91650308) is 1-(4-chlorobutylsulfonyl)-4-(trifluoromethyl)piperidin-4-ol.
What is the SMILES notation for 1-(4-chlorobutylsulfonyl)-4-(trifluoromethyl)piperidin-4-ol?
The canonical SMILES for 1-(4-chlorobutylsulfonyl)-4-(trifluoromethyl)piperidin-4-ol is O=S(=O)(CCCCCl)N1CCC(O)(C(F)(F)F)CC1.
What is the InChIKey of 1-(4-chlorobutylsulfonyl)-4-(trifluoromethyl)piperidin-4-ol?
The InChIKey is ZBCMYICUZCFEPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17ClF3NO3S/c11-5-1-2-8-19(17,18)15-6-3-9(16,4-7-15)10(12,13)14/h16H,1-8H2.
What are the key properties of 1-(4-chlorobutylsulfonyl)-4-(trifluoromethyl)piperidin-4-ol?
1-(4-chlorobutylsulfonyl)-4-(trifluoromethyl)piperidin-4-ol has a molecular weight of 323.76 g/mol, XLogP of 1.72, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorobutylsulfonyl)-4-(trifluoromethyl)piperidin-4-ol is sourced from PubChem (CID 91650308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).