1-[3-(trifluoromethyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-7-yl]piperidine

C17H22F3N — CID 19915673

IUPAC1-[3-(trifluoromethyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-7-yl]piperidine
SMILESFC(F)(F)c1ccc2c(c1)CCC(N1CCCCC1)CC2
InChIInChI=1S/C17H22F3N/c18-17(19,20)15-7-4-13-5-8-16(9-6-14(13)12-15)21-10-2-1-3-11-21/h4,7,12,16H,1-3,5-6,8-11H2
InChIKeyOKESHHFKNUFANQ-UHFFFAOYSA-N
MW297.36 g/mol
LogP4.44
Rot. Bonds1

About 1-[3-(trifluoromethyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-7-yl]piperidine

1-[3-(trifluoromethyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-7-yl]piperidine (PubChem CID 19915673) has the molecular formula C17H22F3N and a molecular weight of 297.36 g/mol. Its IUPAC name is 1-[3-(trifluoromethyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-7-yl]piperidine.

Molecular Properties

Compound Name1-[3-(trifluoromethyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-7-yl]piperidine
PubChem CID19915673
Molecular FormulaC17H22F3N
Molecular Weight297.36 g/mol
Exact Mass297.17
IUPAC Name1-[3-(trifluoromethyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-7-yl]piperidine
SMILESFC(F)(F)c1ccc2c(c1)CCC(N1CCCCC1)CC2
InChIInChI=1S/C17H22F3N/c18-17(19,20)15-7-4-13-5-8-16(9-6-14(13)12-15)21-10-2-1-3-11-21/h4,7,12,16H,1-3,5-6,8-11H2
InChIKeyOKESHHFKNUFANQ-UHFFFAOYSA-N
XLogP4.44
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-piperidin-1-yl-1-[[4-(trifluoromethyl)phenyl]methyl]piperidine
CID 27267003
(2S)-7-(trifluoromethyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 131605067
2-cyclopentyl-7-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isoquinoline
CID 70983436
N-(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-2,2,2-trifluoro-N-[4-(trifluoromethyl)phenyl]acetamide
CID 87726298
N-ethyl-3-(trifluoromethyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-7-amine
CID 14502067
3-cyclobutyl-N-[[4-(trifluoromethyl)phenyl]methyl]-1,2,4,5-tetrahydro-3-benzazepine-7-carboxamide
CID 67161977
2-methoxy-6-(trifluoromethyl)-1,2,3,4-tetrahydronaphthalene
CID 163458109
2-(4-pyrrolidin-1-ylpiperidin-1-yl)-5-(trifluoromethyl)-1,3-benzothiazole
CID 133318192
1-[6-(3,4-difluorophenyl)-1,2,3,4-tetrahydronaphthalen-2-yl]pyrrolidine
CID 24754190
3-cyclopentyl-9-methyl-2,4,5,6-tetrahydro-1H-3-benzazocine;ethane
CID 143718969
1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-4-piperidin-1-ylpiperidine
CID 71890474
2-(6-chloro-4-methyl-2-pyridinyl)-N-(7-pyrrolidin-1-yl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl)-5-(trifluoromethyl)-1,2,4-triazol-3-amine;ethane
CID 177237731

Frequently Asked Questions

What is the IUPAC name of 1-[3-(trifluoromethyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-7-yl]piperidine?
The IUPAC name of 1-[3-(trifluoromethyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-7-yl]piperidine (CID 19915673) is 1-[3-(trifluoromethyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-7-yl]piperidine.
What is the SMILES notation for 1-[3-(trifluoromethyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-7-yl]piperidine?
The canonical SMILES for 1-[3-(trifluoromethyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-7-yl]piperidine is FC(F)(F)c1ccc2c(c1)CCC(N1CCCCC1)CC2.
What is the InChIKey of 1-[3-(trifluoromethyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-7-yl]piperidine?
The InChIKey is OKESHHFKNUFANQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22F3N/c18-17(19,20)15-7-4-13-5-8-16(9-6-14(13)12-15)21-10-2-1-3-11-21/h4,7,12,16H,1-3,5-6,8-11H2.
What are the key properties of 1-[3-(trifluoromethyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-7-yl]piperidine?
1-[3-(trifluoromethyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-7-yl]piperidine has a molecular weight of 297.36 g/mol, XLogP of 4.44, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(trifluoromethyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-7-yl]piperidine is sourced from PubChem (CID 19915673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).