1-(1-benzothiophen-3-yl)-2-(trifluoromethyl)piperidine

C14H14F3NS — CID 23112420

IUPAC1-(1-benzothiophen-3-yl)-2-(trifluoromethyl)piperidine
SMILESFC(F)(F)C1CCCCN1c1csc2ccccc12
InChIInChI=1S/C14H14F3NS/c15-14(16,17)13-7-3-4-8-18(13)11-9-19-12-6-2-1-5-10(11)12/h1-2,5-6,9,13H,3-4,7-8H2
InChIKeyNZYGQTVZCIEXOC-UHFFFAOYSA-N
MW285.33 g/mol
LogP4.82
Rot. Bonds1

About 1-(1-benzothiophen-3-yl)-2-(trifluoromethyl)piperidine

1-(1-benzothiophen-3-yl)-2-(trifluoromethyl)piperidine (PubChem CID 23112420) has the molecular formula C14H14F3NS and a molecular weight of 285.33 g/mol. Its IUPAC name is 1-(1-benzothiophen-3-yl)-2-(trifluoromethyl)piperidine.

Molecular Properties

Compound Name1-(1-benzothiophen-3-yl)-2-(trifluoromethyl)piperidine
PubChem CID23112420
Molecular FormulaC14H14F3NS
Molecular Weight285.33 g/mol
Exact Mass285.08
IUPAC Name1-(1-benzothiophen-3-yl)-2-(trifluoromethyl)piperidine
SMILESFC(F)(F)C1CCCCN1c1csc2ccccc12
InChIInChI=1S/C14H14F3NS/c15-14(16,17)13-7-3-4-8-18(13)11-9-19-12-6-2-1-5-10(11)12/h1-2,5-6,9,13H,3-4,7-8H2
InChIKeyNZYGQTVZCIEXOC-UHFFFAOYSA-N
XLogP4.82
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.33
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(Benzo[b]thiophen-7-yl)piperazine
CID 11988373
Morpholine, 4-benzo[b]thien-3-yl-
CID 12190199
1-(Benzo[b]thiophen-4-yl)piperazine
CID 21073187
1-(1-Benzothiophen-4-yl)piperazine hydrochloride
CID 57482541
1-(1-Benzothiophen-3-yl)piperidine
CID 281089
1-(2-Phenyl-1-benzothiophen-3-yl)piperidine
CID 11208609
1-(2-Thienylmethyl)-4-[3-(trifluoromethyl)phenyl]piperazine
CID 765009
N-(4-fluorophenyl)-1-benzothiophen-3-amine
CID 11425054
1-(1-Benzothiophen-3-yl)-4-methylpiperazine
CID 11447613
N-(2-fluorophenyl)-1-benzothiophen-3-amine
CID 45270419
1-(4-Thiophen-2-ylbutyl)-4-[4-(trifluoromethyl)phenyl]piperazine
CID 162666016
1-(1-Benzothiophen-2-yl)piperidine
CID 281091

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzothiophen-3-yl)-2-(trifluoromethyl)piperidine?
The IUPAC name of 1-(1-benzothiophen-3-yl)-2-(trifluoromethyl)piperidine (CID 23112420) is 1-(1-benzothiophen-3-yl)-2-(trifluoromethyl)piperidine.
What is the SMILES notation for 1-(1-benzothiophen-3-yl)-2-(trifluoromethyl)piperidine?
The canonical SMILES for 1-(1-benzothiophen-3-yl)-2-(trifluoromethyl)piperidine is FC(F)(F)C1CCCCN1c1csc2ccccc12.
What is the InChIKey of 1-(1-benzothiophen-3-yl)-2-(trifluoromethyl)piperidine?
The InChIKey is NZYGQTVZCIEXOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3NS/c15-14(16,17)13-7-3-4-8-18(13)11-9-19-12-6-2-1-5-10(11)12/h1-2,5-6,9,13H,3-4,7-8H2.
What are the key properties of 1-(1-benzothiophen-3-yl)-2-(trifluoromethyl)piperidine?
1-(1-benzothiophen-3-yl)-2-(trifluoromethyl)piperidine has a molecular weight of 285.33 g/mol, XLogP of 4.82, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzothiophen-3-yl)-2-(trifluoromethyl)piperidine is sourced from PubChem (CID 23112420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).