2-piperidin-3-yl-3-(trifluoromethyl)-1H-indole

C14H15F3N2 — CID 67535251

IUPAC2-piperidin-3-yl-3-(trifluoromethyl)-1H-indole
SMILESFC(F)(F)c1c(C2CCCNC2)[nH]c2ccccc12
InChIInChI=1S/C14H15F3N2/c15-14(16,17)12-10-5-1-2-6-11(10)19-13(12)9-4-3-7-18-8-9/h1-2,5-6,9,18-19H,3-4,7-8H2
InChIKeyHXSLSVNCZVAPFP-UHFFFAOYSA-N
MW268.28 g/mol
LogP3.65
Rot. Bonds1

About 2-piperidin-3-yl-3-(trifluoromethyl)-1H-indole

2-piperidin-3-yl-3-(trifluoromethyl)-1H-indole (PubChem CID 67535251) has the molecular formula C14H15F3N2 and a molecular weight of 268.28 g/mol. Its IUPAC name is 2-piperidin-3-yl-3-(trifluoromethyl)-1H-indole.

Molecular Properties

Compound Name2-piperidin-3-yl-3-(trifluoromethyl)-1H-indole
PubChem CID67535251
Molecular FormulaC14H15F3N2
Molecular Weight268.28 g/mol
Exact Mass268.12
IUPAC Name2-piperidin-3-yl-3-(trifluoromethyl)-1H-indole
SMILESFC(F)(F)c1c(C2CCCNC2)[nH]c2ccccc12
InChIInChI=1S/C14H15F3N2/c15-14(16,17)12-10-5-1-2-6-11(10)19-13(12)9-4-3-7-18-8-9/h1-2,5-6,9,18-19H,3-4,7-8H2
InChIKeyHXSLSVNCZVAPFP-UHFFFAOYSA-N
XLogP3.65
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.28
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

(3R)-3-[4-(trifluoromethyl)phenyl]piperidine;hydrochloride
CID 45074264
(3S)-3-[4-(trifluoromethyl)phenyl]piperidine;hydrochloride
CID 45074262
4-chloro-2-piperidin-3-yl-1H-indole
CID 82620573
3-(trifluoromethyl)-1H-indol-2-ol
CID 154142036
3-bromo-5-methoxy-2-piperidin-3-yl-1H-indole
CID 84645185
3-bromo-7-fluoro-2-piperidin-3-yl-1H-indole
CID 84644364
3-[3,5-bis(trifluoromethyl)phenyl]piperidine
CID 45073834
2-[(3S)-piperidin-3-yl]-1H-benzimidazole;dihydrochloride
CID 131870823
3-(azepan-4-yl)-2-methyl-1H-indole
CID 82288280
5,6-difluoro-3-methyl-2-piperidin-3-yl-1H-indole
CID 91174939
3-bromo-5-ethyl-2-piperidin-3-yl-1H-indole
CID 84644943
2-cyclobutyl-3-methyl-1H-indole
CID 91217757

Frequently Asked Questions

What is the IUPAC name of 2-piperidin-3-yl-3-(trifluoromethyl)-1H-indole?
The IUPAC name of 2-piperidin-3-yl-3-(trifluoromethyl)-1H-indole (CID 67535251) is 2-piperidin-3-yl-3-(trifluoromethyl)-1H-indole.
What is the SMILES notation for 2-piperidin-3-yl-3-(trifluoromethyl)-1H-indole?
The canonical SMILES for 2-piperidin-3-yl-3-(trifluoromethyl)-1H-indole is FC(F)(F)c1c(C2CCCNC2)[nH]c2ccccc12.
What is the InChIKey of 2-piperidin-3-yl-3-(trifluoromethyl)-1H-indole?
The InChIKey is HXSLSVNCZVAPFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N2/c15-14(16,17)12-10-5-1-2-6-11(10)19-13(12)9-4-3-7-18-8-9/h1-2,5-6,9,18-19H,3-4,7-8H2.
What are the key properties of 2-piperidin-3-yl-3-(trifluoromethyl)-1H-indole?
2-piperidin-3-yl-3-(trifluoromethyl)-1H-indole has a molecular weight of 268.28 g/mol, XLogP of 3.65, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-3-yl-3-(trifluoromethyl)-1H-indole is sourced from PubChem (CID 67535251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).