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

C18H20F3NS — CID 46089306

IUPAC1-(thiophen-2-ylmethyl)-4-[[4-(trifluoromethyl)phenyl]methyl]piperidine
SMILESFC(F)(F)c1ccc(CC2CCN(Cc3cccs3)CC2)cc1
InChIInChI=1S/C18H20F3NS/c19-18(20,21)16-5-3-14(4-6-16)12-15-7-9-22(10-8-15)13-17-2-1-11-23-17/h1-6,11,15H,7-10,12-13H2
InChIKeyCVHHPINHCXEOAH-UHFFFAOYSA-N
MW339.43 g/mol
LogP5.22
Rot. Bonds4

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

1-(thiophen-2-ylmethyl)-4-[[4-(trifluoromethyl)phenyl]methyl]piperidine (PubChem CID 46089306) has the molecular formula C18H20F3NS and a molecular weight of 339.43 g/mol. Its IUPAC name is 1-(thiophen-2-ylmethyl)-4-[[4-(trifluoromethyl)phenyl]methyl]piperidine.

Molecular Properties

Compound Name1-(thiophen-2-ylmethyl)-4-[[4-(trifluoromethyl)phenyl]methyl]piperidine
PubChem CID46089306
Molecular FormulaC18H20F3NS
Molecular Weight339.43 g/mol
Exact Mass339.13
IUPAC Name1-(thiophen-2-ylmethyl)-4-[[4-(trifluoromethyl)phenyl]methyl]piperidine
SMILESFC(F)(F)c1ccc(CC2CCN(Cc3cccs3)CC2)cc1
InChIInChI=1S/C18H20F3NS/c19-18(20,21)16-5-3-14(4-6-16)12-15-7-9-22(10-8-15)13-17-2-1-11-23-17/h1-6,11,15H,7-10,12-13H2
InChIKeyCVHHPINHCXEOAH-UHFFFAOYSA-N
XLogP5.22
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.43
LogP ≤ 55.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Tenocyclidine
CID 62751
Gacyclidine
CID 176265
(S)-1-Propyl-3-(3-thiophen-3-yl-phenyl)-piperidine
CID 11778702
1-(1-(5-(2'-Fluoroethyl)-2-thienyl)-cyclohexyl)piperidine
CID 192646
1-(1-Benzothien-3-ylmethyl)piperidine
CID 832487
5-[(2-methylphenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine
CID 3041293
1-(3-Phenyl-cyclohex-3-enylmethyl)-4-thiophen-2-yl-1,2,3,6-tetrahydro-pyridine
CID 9974231
Tenocyclidine hydrochloride
CID 16640802
(4aR,10bR)-3-(thiophen-2-ylmethyl)-2,4,4a,5,6,10b-hexahydro-1H-benzo[f]isoquinoline;hydrochloride
CID 45264298
4-(4-fluorophenyl)-6-methyl-2-propyl-5,7-dihydro-4H-thieno[2,3-c]pyridine;hydrochloride
CID 54581760
2,6-diethyl-4-(4-methylphenyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine;hydrochloride
CID 54584689
(4S,9aS)-4-phenyl-4,5,7,8,9,9a-hexahydrothieno[2,3-g]indolizine;hydrobromide
CID 54584696

Frequently Asked Questions

What is the IUPAC name of 1-(thiophen-2-ylmethyl)-4-[[4-(trifluoromethyl)phenyl]methyl]piperidine?
The IUPAC name of 1-(thiophen-2-ylmethyl)-4-[[4-(trifluoromethyl)phenyl]methyl]piperidine (CID 46089306) is 1-(thiophen-2-ylmethyl)-4-[[4-(trifluoromethyl)phenyl]methyl]piperidine.
What is the SMILES notation for 1-(thiophen-2-ylmethyl)-4-[[4-(trifluoromethyl)phenyl]methyl]piperidine?
The canonical SMILES for 1-(thiophen-2-ylmethyl)-4-[[4-(trifluoromethyl)phenyl]methyl]piperidine is FC(F)(F)c1ccc(CC2CCN(Cc3cccs3)CC2)cc1.
What is the InChIKey of 1-(thiophen-2-ylmethyl)-4-[[4-(trifluoromethyl)phenyl]methyl]piperidine?
The InChIKey is CVHHPINHCXEOAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F3NS/c19-18(20,21)16-5-3-14(4-6-16)12-15-7-9-22(10-8-15)13-17-2-1-11-23-17/h1-6,11,15H,7-10,12-13H2.
What are the key properties of 1-(thiophen-2-ylmethyl)-4-[[4-(trifluoromethyl)phenyl]methyl]piperidine?
1-(thiophen-2-ylmethyl)-4-[[4-(trifluoromethyl)phenyl]methyl]piperidine has a molecular weight of 339.43 g/mol, XLogP of 5.22, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(thiophen-2-ylmethyl)-4-[[4-(trifluoromethyl)phenyl]methyl]piperidine is sourced from PubChem (CID 46089306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).