1-[4-methyl-4-(3-methylphenyl)sulfonylpentyl]-4-(trifluoromethyl)piperidine

C19H28F3NO2S — CID 21048842

IUPAC1-[4-methyl-4-(3-methylphenyl)sulfonylpentyl]-4-(trifluoromethyl)piperidine
SMILESCc1cccc(S(=O)(=O)C(C)(C)CCCN2CCC(C(F)(F)F)CC2)c1
InChIInChI=1S/C19H28F3NO2S/c1-15-6-4-7-17(14-15)26(24,25)18(2,3)10-5-11-23-12-8-16(9-13-23)19(20,21)22/h4,6-7,14,16H,5,8-13H2,1-3H3
InChIKeyGUXVKLHDKRKVHP-UHFFFAOYSA-N
MW391.50 g/mol
LogP4.60
Rot. Bonds6

About 1-[4-methyl-4-(3-methylphenyl)sulfonylpentyl]-4-(trifluoromethyl)piperidine

1-[4-methyl-4-(3-methylphenyl)sulfonylpentyl]-4-(trifluoromethyl)piperidine (PubChem CID 21048842) has the molecular formula C19H28F3NO2S and a molecular weight of 391.50 g/mol. Its IUPAC name is 1-[4-methyl-4-(3-methylphenyl)sulfonylpentyl]-4-(trifluoromethyl)piperidine.

Molecular Properties

Compound Name1-[4-methyl-4-(3-methylphenyl)sulfonylpentyl]-4-(trifluoromethyl)piperidine
PubChem CID21048842
Molecular FormulaC19H28F3NO2S
Molecular Weight391.50 g/mol
Exact Mass391.18
IUPAC Name1-[4-methyl-4-(3-methylphenyl)sulfonylpentyl]-4-(trifluoromethyl)piperidine
SMILESCc1cccc(S(=O)(=O)C(C)(C)CCCN2CCC(C(F)(F)F)CC2)c1
InChIInChI=1S/C19H28F3NO2S/c1-15-6-4-7-17(14-15)26(24,25)18(2,3)10-5-11-23-12-8-16(9-13-23)19(20,21)22/h4,6-7,14,16H,5,8-13H2,1-3H3
InChIKeyGUXVKLHDKRKVHP-UHFFFAOYSA-N
XLogP4.60
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.50
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-methyl-4-(3-methylphenyl)sulfonylpentyl]-4-(trifluoromethyl)piperidine?
The IUPAC name of 1-[4-methyl-4-(3-methylphenyl)sulfonylpentyl]-4-(trifluoromethyl)piperidine (CID 21048842) is 1-[4-methyl-4-(3-methylphenyl)sulfonylpentyl]-4-(trifluoromethyl)piperidine.
What is the SMILES notation for 1-[4-methyl-4-(3-methylphenyl)sulfonylpentyl]-4-(trifluoromethyl)piperidine?
The canonical SMILES for 1-[4-methyl-4-(3-methylphenyl)sulfonylpentyl]-4-(trifluoromethyl)piperidine is Cc1cccc(S(=O)(=O)C(C)(C)CCCN2CCC(C(F)(F)F)CC2)c1.
What is the InChIKey of 1-[4-methyl-4-(3-methylphenyl)sulfonylpentyl]-4-(trifluoromethyl)piperidine?
The InChIKey is GUXVKLHDKRKVHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28F3NO2S/c1-15-6-4-7-17(14-15)26(24,25)18(2,3)10-5-11-23-12-8-16(9-13-23)19(20,21)22/h4,6-7,14,16H,5,8-13H2,1-3H3.
What are the key properties of 1-[4-methyl-4-(3-methylphenyl)sulfonylpentyl]-4-(trifluoromethyl)piperidine?
1-[4-methyl-4-(3-methylphenyl)sulfonylpentyl]-4-(trifluoromethyl)piperidine has a molecular weight of 391.50 g/mol, XLogP of 4.60, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-methyl-4-(3-methylphenyl)sulfonylpentyl]-4-(trifluoromethyl)piperidine is sourced from PubChem (CID 21048842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).