8-(2-piperidin-4-ylethoxy)-2-[[2-(trifluoromethyl)phenyl]methyl]-1,3,4,5-tetrahydro-2-benzazepine

C25H31F3N2O — CID 139892091

IUPAC8-(2-piperidin-4-ylethoxy)-2-[[2-(trifluoromethyl)phenyl]methyl]-1,3,4,5-tetrahydro-2-benzazepine
SMILESFC(F)(F)c1ccccc1CN1CCCc2ccc(OCCC3CCNCC3)cc2C1
InChIInChI=1S/C25H31F3N2O/c26-25(27,28)24-6-2-1-4-21(24)17-30-14-3-5-20-7-8-23(16-22(20)18-30)31-15-11-19-9-12-29-13-10-19/h1-2,4,6-8,16,19,29H,3,5,9-15,17-18H2
InChIKeyFMVXOFOVZGIGKY-UHFFFAOYSA-N
MW432.53 g/mol
LogP5.42
Rot. Bonds6

About 8-(2-piperidin-4-ylethoxy)-2-[[2-(trifluoromethyl)phenyl]methyl]-1,3,4,5-tetrahydro-2-benzazepine

8-(2-piperidin-4-ylethoxy)-2-[[2-(trifluoromethyl)phenyl]methyl]-1,3,4,5-tetrahydro-2-benzazepine (PubChem CID 139892091) has the molecular formula C25H31F3N2O and a molecular weight of 432.53 g/mol. Its IUPAC name is 8-(2-piperidin-4-ylethoxy)-2-[[2-(trifluoromethyl)phenyl]methyl]-1,3,4,5-tetrahydro-2-benzazepine.

Molecular Properties

Compound Name8-(2-piperidin-4-ylethoxy)-2-[[2-(trifluoromethyl)phenyl]methyl]-1,3,4,5-tetrahydro-2-benzazepine
PubChem CID139892091
Molecular FormulaC25H31F3N2O
Molecular Weight432.53 g/mol
Exact Mass432.24
IUPAC Name8-(2-piperidin-4-ylethoxy)-2-[[2-(trifluoromethyl)phenyl]methyl]-1,3,4,5-tetrahydro-2-benzazepine
SMILESFC(F)(F)c1ccccc1CN1CCCc2ccc(OCCC3CCNCC3)cc2C1
InChIInChI=1S/C25H31F3N2O/c26-25(27,28)24-6-2-1-4-21(24)17-30-14-3-5-20-7-8-23(16-22(20)18-30)31-15-11-19-9-12-29-13-10-19/h1-2,4,6-8,16,19,29H,3,5,9-15,17-18H2
InChIKeyFMVXOFOVZGIGKY-UHFFFAOYSA-N
XLogP5.42
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.53
LogP ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 8-(2-piperidin-4-ylethoxy)-2-[[2-(trifluoromethyl)phenyl]methyl]-1,3,4,5-tetrahydro-2-benzazepine with MolForge

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Related Compounds

4-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]piperidine
CID 26192461
2-[(2-methylphenyl)methyl]-8-[2-[1-[(3-methylphenyl)methyl]piperidin-4-yl]ethoxy]-1,3,4,5-tetrahydro-2-benzazepine
CID 70205995
2-[(2-methylphenyl)methyl]-8-[2-[1-[(3-methylphenyl)methyl]piperidin-4-yl]ethoxy]-1,3,4,5-tetrahydro-2-benzazepine;dihydrochloride
CID 70205994
8-[2-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]ethoxy]-2-[(3-methylphenyl)methyl]-1,3,4,5-tetrahydro-2-benzazepine;dihydrochloride
CID 70206576
3-[[4-[3-[[2-[(4-fluorophenyl)methyl]-1,3,4,5-tetrahydro-2-benzazepin-8-yl]oxy]propyl]piperidin-1-yl]methyl]benzonitrile
CID 70207268
3,12-bis[[2-(trifluoromethyl)phenyl]methyl]-3,7,12,18-tetrazabicyclo[12.3.1]octadeca-1(17),14(18),15-triene
CID 10099430
1-(2-bromoethoxy)-4-phenylmethoxybenzene;4-[[2-(trifluoromethyl)phenyl]methyl]piperidine;hydrochloride
CID 23294387
1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-3-amine;hydrochloride
CID 119909959
1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-amine
CID 18002013
4-[2-(3-methoxyphenoxy)ethyl]piperidine
CID 26192450
4-[2-(3-iodophenoxy)ethyl]piperidine
CID 105061225
N-methyl-1-[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methanamine
CID 63250554

Frequently Asked Questions

What is the IUPAC name of 8-(2-piperidin-4-ylethoxy)-2-[[2-(trifluoromethyl)phenyl]methyl]-1,3,4,5-tetrahydro-2-benzazepine?
The IUPAC name of 8-(2-piperidin-4-ylethoxy)-2-[[2-(trifluoromethyl)phenyl]methyl]-1,3,4,5-tetrahydro-2-benzazepine (CID 139892091) is 8-(2-piperidin-4-ylethoxy)-2-[[2-(trifluoromethyl)phenyl]methyl]-1,3,4,5-tetrahydro-2-benzazepine.
What is the SMILES notation for 8-(2-piperidin-4-ylethoxy)-2-[[2-(trifluoromethyl)phenyl]methyl]-1,3,4,5-tetrahydro-2-benzazepine?
The canonical SMILES for 8-(2-piperidin-4-ylethoxy)-2-[[2-(trifluoromethyl)phenyl]methyl]-1,3,4,5-tetrahydro-2-benzazepine is FC(F)(F)c1ccccc1CN1CCCc2ccc(OCCC3CCNCC3)cc2C1.
What is the InChIKey of 8-(2-piperidin-4-ylethoxy)-2-[[2-(trifluoromethyl)phenyl]methyl]-1,3,4,5-tetrahydro-2-benzazepine?
The InChIKey is FMVXOFOVZGIGKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31F3N2O/c26-25(27,28)24-6-2-1-4-21(24)17-30-14-3-5-20-7-8-23(16-22(20)18-30)31-15-11-19-9-12-29-13-10-19/h1-2,4,6-8,16,19,29H,3,5,9-15,17-18H2.
What are the key properties of 8-(2-piperidin-4-ylethoxy)-2-[[2-(trifluoromethyl)phenyl]methyl]-1,3,4,5-tetrahydro-2-benzazepine?
8-(2-piperidin-4-ylethoxy)-2-[[2-(trifluoromethyl)phenyl]methyl]-1,3,4,5-tetrahydro-2-benzazepine has a molecular weight of 432.53 g/mol, XLogP of 5.42, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-piperidin-4-ylethoxy)-2-[[2-(trifluoromethyl)phenyl]methyl]-1,3,4,5-tetrahydro-2-benzazepine is sourced from PubChem (CID 139892091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).