1-[2-[[2-(trifluoromethyl)phenyl]methyl]pyrrol-2-yl]piperidine

C17H19F3N2 — CID 57091089

IUPAC1-[2-[[2-(trifluoromethyl)phenyl]methyl]pyrrol-2-yl]piperidine
SMILESFC(F)(F)c1ccccc1CC1(N2CCCCC2)C=CC=N1
InChIInChI=1S/C17H19F3N2/c18-17(19,20)15-8-3-2-7-14(15)13-16(9-6-10-21-16)22-11-4-1-5-12-22/h2-3,6-10H,1,4-5,11-13H2
InChIKeyRQBOJKVWSDPWHK-UHFFFAOYSA-N
MW308.35 g/mol
LogP4.07
Rot. Bonds3

About 1-[2-[[2-(trifluoromethyl)phenyl]methyl]pyrrol-2-yl]piperidine

1-[2-[[2-(trifluoromethyl)phenyl]methyl]pyrrol-2-yl]piperidine (PubChem CID 57091089) has the molecular formula C17H19F3N2 and a molecular weight of 308.35 g/mol. Its IUPAC name is 1-[2-[[2-(trifluoromethyl)phenyl]methyl]pyrrol-2-yl]piperidine.

Molecular Properties

Compound Name1-[2-[[2-(trifluoromethyl)phenyl]methyl]pyrrol-2-yl]piperidine
PubChem CID57091089
Molecular FormulaC17H19F3N2
Molecular Weight308.35 g/mol
Exact Mass308.15
IUPAC Name1-[2-[[2-(trifluoromethyl)phenyl]methyl]pyrrol-2-yl]piperidine
SMILESFC(F)(F)c1ccccc1CC1(N2CCCCC2)C=CC=N1
InChIInChI=1S/C17H19F3N2/c18-17(19,20)15-8-3-2-7-14(15)13-16(9-6-10-21-16)22-11-4-1-5-12-22/h2-3,6-10H,1,4-5,11-13H2
InChIKeyRQBOJKVWSDPWHK-UHFFFAOYSA-N
XLogP4.07
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.35
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-Phenyl-6-(trifluoromethyl)-3,5,8,8a-tetrahydroimidazo[1,2-a]pyridine
CID 91446839
N-{2,2-dimethyl-1-[2-(trifluoromethyl)benzyl]-1,2,3,4-tetrahydropyridin-4-ylidene}piperidinium bromide
CID 137530358
1-Benzyl-4-[4-benzyl-2-(difluoromethyl)imidazol-2-yl]piperidine
CID 54275909
4-(4-fluorophenyl)-1-[4-(2H-imidazol-2-yl)butyl]-3,6-dihydro-2H-pyridine
CID 69588161
N-cyclohexyl-N-methyl-5-[2-(trifluoromethyl)phenyl]-2,5-dihydropyrimidin-2-amine
CID 91806562
N-[2-(2-methylphenyl)ethyl]-N-[(3E)-5,5,5-trifluoro-4-methyl-3-(methyliminomethyl)penta-1,3-dien-2-yl]cyclohexa-1,3-dien-1-amine
CID 134466268
1-[(2R)-3-(2,4-difluorophenyl)-4-(4H-imidazol-4-yl)butan-2-yl]-4-methylidenepiperidine
CID 139309735
(3S)-3-[(4,4-difluoropiperidin-1-yl)methyl]-3,4-dihydroisoquinoline
CID 141428149
(3S)-3-[2-(3,3-difluoropiperidin-1-yl)ethyl]-3,4-dihydroisoquinoline
CID 141439731
1-[2-(2-Prop-1-en-2-ylphenyl)prop-2-enyl]-2-(trifluoromethyl)piperidine
CID 144567550
1-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]-6-methyl-2H-pyrimidine
CID 151890884
2-[[4-(Trifluoromethyl)phenyl]methyl]-3,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyridin-2-ium
CID 53328008

Frequently Asked Questions

What is the IUPAC name of 1-[2-[[2-(trifluoromethyl)phenyl]methyl]pyrrol-2-yl]piperidine?
The IUPAC name of 1-[2-[[2-(trifluoromethyl)phenyl]methyl]pyrrol-2-yl]piperidine (CID 57091089) is 1-[2-[[2-(trifluoromethyl)phenyl]methyl]pyrrol-2-yl]piperidine.
What is the SMILES notation for 1-[2-[[2-(trifluoromethyl)phenyl]methyl]pyrrol-2-yl]piperidine?
The canonical SMILES for 1-[2-[[2-(trifluoromethyl)phenyl]methyl]pyrrol-2-yl]piperidine is FC(F)(F)c1ccccc1CC1(N2CCCCC2)C=CC=N1.
What is the InChIKey of 1-[2-[[2-(trifluoromethyl)phenyl]methyl]pyrrol-2-yl]piperidine?
The InChIKey is RQBOJKVWSDPWHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F3N2/c18-17(19,20)15-8-3-2-7-14(15)13-16(9-6-10-21-16)22-11-4-1-5-12-22/h2-3,6-10H,1,4-5,11-13H2.
What are the key properties of 1-[2-[[2-(trifluoromethyl)phenyl]methyl]pyrrol-2-yl]piperidine?
1-[2-[[2-(trifluoromethyl)phenyl]methyl]pyrrol-2-yl]piperidine has a molecular weight of 308.35 g/mol, XLogP of 4.07, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[2-(trifluoromethyl)phenyl]methyl]pyrrol-2-yl]piperidine is sourced from PubChem (CID 57091089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).