3-[4-(4-phenylpiperidin-1-yl)butyl]-5-(trifluoromethyl)-1H-indole

C24H27F3N2 — CID 70542429

IUPAC3-[4-(4-phenylpiperidin-1-yl)butyl]-5-(trifluoromethyl)-1H-indole
SMILESFC(F)(F)c1ccc2[nH]cc(CCCCN3CCC(c4ccccc4)CC3)c2c1
InChIInChI=1S/C24H27F3N2/c25-24(26,27)21-9-10-23-22(16-21)20(17-28-23)8-4-5-13-29-14-11-19(12-15-29)18-6-2-1-3-7-18/h1-3,6-7,9-10,16-17,19,28H,4-5,8,11-15H2
InChIKeyLHXBWGGMOUGOEY-UHFFFAOYSA-N
MW400.49 g/mol
LogP6.39
Rot. Bonds6

About 3-[4-(4-phenylpiperidin-1-yl)butyl]-5-(trifluoromethyl)-1H-indole

3-[4-(4-phenylpiperidin-1-yl)butyl]-5-(trifluoromethyl)-1H-indole (PubChem CID 70542429) has the molecular formula C24H27F3N2 and a molecular weight of 400.49 g/mol. Its IUPAC name is 3-[4-(4-phenylpiperidin-1-yl)butyl]-5-(trifluoromethyl)-1H-indole.

Molecular Properties

Compound Name3-[4-(4-phenylpiperidin-1-yl)butyl]-5-(trifluoromethyl)-1H-indole
PubChem CID70542429
Molecular FormulaC24H27F3N2
Molecular Weight400.49 g/mol
Exact Mass400.21
IUPAC Name3-[4-(4-phenylpiperidin-1-yl)butyl]-5-(trifluoromethyl)-1H-indole
SMILESFC(F)(F)c1ccc2[nH]cc(CCCCN3CCC(c4ccccc4)CC3)c2c1
InChIInChI=1S/C24H27F3N2/c25-24(26,27)21-9-10-23-22(16-21)20(17-28-23)8-4-5-13-29-14-11-19(12-15-29)18-6-2-1-3-7-18/h1-3,6-7,9-10,16-17,19,28H,4-5,8,11-15H2
InChIKeyLHXBWGGMOUGOEY-UHFFFAOYSA-N
XLogP6.39
TPSA19.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.49
LogP ≤ 56.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

[3-[4-(4-phenylpiperidin-1-yl)butyl]-1H-indol-5-yl] hydrogen carbonate
CID 70412080
3-[4-[4-(1H-indol-3-yl)piperidin-1-yl]butyl]-5-methoxy-1H-indole;hydrochloride
CID 131720346
4,7-dimethyl-3-[4-(4-phenylpiperidin-1-yl)butyl]-1H-indole
CID 70545083
3-[4-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]butyl]-1H-indole-5-carboxamide
CID 57302731
3-[4-[4-(4-hydroxyphenyl)piperidin-1-yl]butyl]-1H-indole-6-carboxamide
CID 19786736
5-tert-butyl-3-(3-piperazin-1-ylpropyl)-1H-indole
CID 82277483
4-phenyl-1-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidine
CID 141379171
3-[4-[3-(4-hydroxyphenyl)piperidin-1-yl]butyl]-1H-indole-5-carboxylic acid
CID 19786740
3-[4-[(3S)-3-benzylpiperidin-1-yl]butyl]-5-fluoro-1H-indole
CID 10133399
3-[3-[4-[4-[3-(1-benzylpiperidin-4-yl)propanoyl]phenyl]piperidin-1-yl]propyl]-1H-indole-5-carbonitrile
CID 168948459
2-[5-(trifluoromethyl)-1H-indol-3-yl]ethanol
CID 12030137
3-[1-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-4-yl]-1H-indole
CID 67753310

Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-phenylpiperidin-1-yl)butyl]-5-(trifluoromethyl)-1H-indole?
The IUPAC name of 3-[4-(4-phenylpiperidin-1-yl)butyl]-5-(trifluoromethyl)-1H-indole (CID 70542429) is 3-[4-(4-phenylpiperidin-1-yl)butyl]-5-(trifluoromethyl)-1H-indole.
What is the SMILES notation for 3-[4-(4-phenylpiperidin-1-yl)butyl]-5-(trifluoromethyl)-1H-indole?
The canonical SMILES for 3-[4-(4-phenylpiperidin-1-yl)butyl]-5-(trifluoromethyl)-1H-indole is FC(F)(F)c1ccc2[nH]cc(CCCCN3CCC(c4ccccc4)CC3)c2c1.
What is the InChIKey of 3-[4-(4-phenylpiperidin-1-yl)butyl]-5-(trifluoromethyl)-1H-indole?
The InChIKey is LHXBWGGMOUGOEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27F3N2/c25-24(26,27)21-9-10-23-22(16-21)20(17-28-23)8-4-5-13-29-14-11-19(12-15-29)18-6-2-1-3-7-18/h1-3,6-7,9-10,16-17,19,28H,4-5,8,11-15H2.
What are the key properties of 3-[4-(4-phenylpiperidin-1-yl)butyl]-5-(trifluoromethyl)-1H-indole?
3-[4-(4-phenylpiperidin-1-yl)butyl]-5-(trifluoromethyl)-1H-indole has a molecular weight of 400.49 g/mol, XLogP of 6.39, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-phenylpiperidin-1-yl)butyl]-5-(trifluoromethyl)-1H-indole is sourced from PubChem (CID 70542429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).