1-methyl-4-[2-[4-(trifluoromethyl)phenyl]sulfanylphenoxy]piperidine

C19H20F3NOS — CID 1044054

IUPAC1-methyl-4-[2-[4-(trifluoromethyl)phenyl]sulfanylphenoxy]piperidine
SMILESCN1CCC(Oc2ccccc2Sc2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C19H20F3NOS/c1-23-12-10-15(11-13-23)24-17-4-2-3-5-18(17)25-16-8-6-14(7-9-16)19(20,21)22/h2-9,15H,10-13H2,1H3
InChIKeyMPXWIWCJZHUHQR-UHFFFAOYSA-N
MW367.44 g/mol
LogP5.33
Rot. Bonds4

About 1-methyl-4-[2-[4-(trifluoromethyl)phenyl]sulfanylphenoxy]piperidine

1-methyl-4-[2-[4-(trifluoromethyl)phenyl]sulfanylphenoxy]piperidine (PubChem CID 1044054) has the molecular formula C19H20F3NOS and a molecular weight of 367.44 g/mol. Its IUPAC name is 1-methyl-4-[2-[4-(trifluoromethyl)phenyl]sulfanylphenoxy]piperidine.

Molecular Properties

Compound Name1-methyl-4-[2-[4-(trifluoromethyl)phenyl]sulfanylphenoxy]piperidine
PubChem CID1044054
Molecular FormulaC19H20F3NOS
Molecular Weight367.44 g/mol
Exact Mass367.12
IUPAC Name1-methyl-4-[2-[4-(trifluoromethyl)phenyl]sulfanylphenoxy]piperidine
SMILESCN1CCC(Oc2ccccc2Sc2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C19H20F3NOS/c1-23-12-10-15(11-13-23)24-17-4-2-3-5-18(17)25-16-8-6-14(7-9-16)19(20,21)22/h2-9,15H,10-13H2,1H3
InChIKeyMPXWIWCJZHUHQR-UHFFFAOYSA-N
XLogP5.33
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.44
LogP ≤ 55.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[(S)-[2-(2-fluoroethoxy)phenyl]sulfanyl-phenylmethyl]morpholine
CID 44457051
1-Benzyl-4-[2-(methylsulfanyl)phenoxy]piperidine
CID 14400564
1-Benzyl-4-piperidinyl 4-(methylsulfanyl)phenyl ether
CID 14400565
(2S)-2-[(S)-[2-(3-fluoropropoxy)phenyl]sulfanyl-phenylmethyl]morpholine
CID 24936132
(2S)-4-[(4-methylsulfanylphenyl)methyl]-2-(phenoxymethyl)morpholine
CID 127031519
1-Methyl-4-(4-phenylsulfanylphenoxy)piperidine;hydrochloride
CID 14400559
1-Methyl-4-piperidinyl 2-{[2-(trifluoromethyl)phenyl]sulfanyl}phenyl ether
CID 14400560
1-Methyl-4-[2-[4-(trifluoromethyl)phenyl]sulfanylphenoxy]piperidine;oxalic acid
CID 14400561
1-(4-Methylbenzenesulfonyl)-4-[3-(trifluoromethyl)phenoxy]piperidine
CID 23607739
11H-Dibenzo(b,e)(1,4)oxathiepin-11-ethanamine, N,N-diethyl-
CID 3067362
11H-Dibenzo(b,e)(1,4)oxathiepin-11-ethanamine, N,N-dimethyl-, hydrochloride, (+-)-
CID 3067380
(3R)-1-methyl-3-[(10R)-9-oxa-2-thiatricyclo[9.4.0.0^{3,8}]pentadeca-1(15),3,5,7,11,13-hexaen-10-ylmethyl]piperidin-1-ium
CID 7107490

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[2-[4-(trifluoromethyl)phenyl]sulfanylphenoxy]piperidine?
The IUPAC name of 1-methyl-4-[2-[4-(trifluoromethyl)phenyl]sulfanylphenoxy]piperidine (CID 1044054) is 1-methyl-4-[2-[4-(trifluoromethyl)phenyl]sulfanylphenoxy]piperidine.
What is the SMILES notation for 1-methyl-4-[2-[4-(trifluoromethyl)phenyl]sulfanylphenoxy]piperidine?
The canonical SMILES for 1-methyl-4-[2-[4-(trifluoromethyl)phenyl]sulfanylphenoxy]piperidine is CN1CCC(Oc2ccccc2Sc2ccc(C(F)(F)F)cc2)CC1.
What is the InChIKey of 1-methyl-4-[2-[4-(trifluoromethyl)phenyl]sulfanylphenoxy]piperidine?
The InChIKey is MPXWIWCJZHUHQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3NOS/c1-23-12-10-15(11-13-23)24-17-4-2-3-5-18(17)25-16-8-6-14(7-9-16)19(20,21)22/h2-9,15H,10-13H2,1H3.
What are the key properties of 1-methyl-4-[2-[4-(trifluoromethyl)phenyl]sulfanylphenoxy]piperidine?
1-methyl-4-[2-[4-(trifluoromethyl)phenyl]sulfanylphenoxy]piperidine has a molecular weight of 367.44 g/mol, XLogP of 5.33, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[2-[4-(trifluoromethyl)phenyl]sulfanylphenoxy]piperidine is sourced from PubChem (CID 1044054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).