1-(1-methylpiperidin-4-yl)sulfonyl-4-[4-(trifluoromethyl)phenoxy]piperidine

C18H25F3N2O3S — CID 59989393

IUPAC1-(1-methylpiperidin-4-yl)sulfonyl-4-[4-(trifluoromethyl)phenoxy]piperidine
SMILESCN1CCC(S(=O)(=O)N2CCC(Oc3ccc(C(F)(F)F)cc3)CC2)CC1
InChIInChI=1S/C18H25F3N2O3S/c1-22-10-8-17(9-11-22)27(24,25)23-12-6-16(7-13-23)26-15-4-2-14(3-5-15)18(19,20)21/h2-5,16-17H,6-13H2,1H3
InChIKeyINIVXVUZZCHKLT-UHFFFAOYSA-N
MW406.47 g/mol
LogP2.97
Rot. Bonds4

About 1-(1-methylpiperidin-4-yl)sulfonyl-4-[4-(trifluoromethyl)phenoxy]piperidine

1-(1-methylpiperidin-4-yl)sulfonyl-4-[4-(trifluoromethyl)phenoxy]piperidine (PubChem CID 59989393) has the molecular formula C18H25F3N2O3S and a molecular weight of 406.47 g/mol. Its IUPAC name is 1-(1-methylpiperidin-4-yl)sulfonyl-4-[4-(trifluoromethyl)phenoxy]piperidine.

Molecular Properties

Compound Name1-(1-methylpiperidin-4-yl)sulfonyl-4-[4-(trifluoromethyl)phenoxy]piperidine
PubChem CID59989393
Molecular FormulaC18H25F3N2O3S
Molecular Weight406.47 g/mol
Exact Mass406.15
IUPAC Name1-(1-methylpiperidin-4-yl)sulfonyl-4-[4-(trifluoromethyl)phenoxy]piperidine
SMILESCN1CCC(S(=O)(=O)N2CCC(Oc3ccc(C(F)(F)F)cc3)CC2)CC1
InChIInChI=1S/C18H25F3N2O3S/c1-22-10-8-17(9-11-22)27(24,25)23-12-6-16(7-13-23)26-15-4-2-14(3-5-15)18(19,20)21/h2-5,16-17H,6-13H2,1H3
InChIKeyINIVXVUZZCHKLT-UHFFFAOYSA-N
XLogP2.97
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.47
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]sulfonylbenzoic acid
CID 20613333
4-(4-iodophenoxy)-1-methylpiperidine
CID 86710870
(3S)-3-[4-(trifluoromethyl)phenoxy]pyrrolidine-1-carboxylic acid
CID 175135309
4-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]sulfonylpiperidine-4-carboxamide
CID 142651702
4-(1-methylpiperidin-4-yl)oxypyridine
CID 18723159
4-[4-[4-[4-(trifluoromethyl)phenoxy]phenoxy]piperidin-1-yl]sulfonyloxane-4-carboxylic acid
CID 18723195
bis[4-(1-methylpiperidin-4-yl)oxyphenyl]methanone
CID 56983177
1-ethylsulfonyl-4-(4-fluorophenoxy)piperidine
CID 110396981
2-(1-methylpiperidin-4-yl)oxy-5-(trifluoromethyl)aniline
CID 19627084
1-cyclopropyl-N-hydroxy-4-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]sulfonylpiperidine-4-carboxamide
CID 22052601
4-[4-(trifluoromethyl)phenoxy]cyclohexan-1-amine
CID 18460866
4-(1-methylsulfonylpiperidin-4-yl)oxyaniline
CID 90410534

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylpiperidin-4-yl)sulfonyl-4-[4-(trifluoromethyl)phenoxy]piperidine?
The IUPAC name of 1-(1-methylpiperidin-4-yl)sulfonyl-4-[4-(trifluoromethyl)phenoxy]piperidine (CID 59989393) is 1-(1-methylpiperidin-4-yl)sulfonyl-4-[4-(trifluoromethyl)phenoxy]piperidine.
What is the SMILES notation for 1-(1-methylpiperidin-4-yl)sulfonyl-4-[4-(trifluoromethyl)phenoxy]piperidine?
The canonical SMILES for 1-(1-methylpiperidin-4-yl)sulfonyl-4-[4-(trifluoromethyl)phenoxy]piperidine is CN1CCC(S(=O)(=O)N2CCC(Oc3ccc(C(F)(F)F)cc3)CC2)CC1.
What is the InChIKey of 1-(1-methylpiperidin-4-yl)sulfonyl-4-[4-(trifluoromethyl)phenoxy]piperidine?
The InChIKey is INIVXVUZZCHKLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25F3N2O3S/c1-22-10-8-17(9-11-22)27(24,25)23-12-6-16(7-13-23)26-15-4-2-14(3-5-15)18(19,20)21/h2-5,16-17H,6-13H2,1H3.
What are the key properties of 1-(1-methylpiperidin-4-yl)sulfonyl-4-[4-(trifluoromethyl)phenoxy]piperidine?
1-(1-methylpiperidin-4-yl)sulfonyl-4-[4-(trifluoromethyl)phenoxy]piperidine has a molecular weight of 406.47 g/mol, XLogP of 2.97, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylpiperidin-4-yl)sulfonyl-4-[4-(trifluoromethyl)phenoxy]piperidine is sourced from PubChem (CID 59989393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).