4-phenyl-4-[[5-(trifluoromethyl)-1H-indol-7-yl]methoxymethyl]piperidine-1-carboxylate

C23H22F3N2O3- — CID 154246446

IUPAC4-phenyl-4-[[5-(trifluoromethyl)-1H-indol-7-yl]methoxymethyl]piperidine-1-carboxylate
SMILESO=C([O-])N1CCC(COCc2cc(C(F)(F)F)cc3cc[nH]c23)(c2ccccc2)CC1
InChIInChI=1S/C23H23F3N2O3/c24-23(25,26)19-12-16-6-9-27-20(16)17(13-19)14-31-15-22(18-4-2-1-3-5-18)7-10-28(11-8-22)21(29)30/h1-6,9,12-13,27H,7-8,10-11,14-15H2,(H,29,30)/p-1
InChIKeyXBRFKPNVAFKKJD-UHFFFAOYSA-M
MW431.43 g/mol
LogP4.08
Rot. Bonds5

About 4-phenyl-4-[[5-(trifluoromethyl)-1H-indol-7-yl]methoxymethyl]piperidine-1-carboxylate

4-phenyl-4-[[5-(trifluoromethyl)-1H-indol-7-yl]methoxymethyl]piperidine-1-carboxylate (PubChem CID 154246446) has the molecular formula C23H22F3N2O3- and a molecular weight of 431.43 g/mol. Its IUPAC name is 4-phenyl-4-[[5-(trifluoromethyl)-1H-indol-7-yl]methoxymethyl]piperidine-1-carboxylate.

Molecular Properties

Compound Name4-phenyl-4-[[5-(trifluoromethyl)-1H-indol-7-yl]methoxymethyl]piperidine-1-carboxylate
PubChem CID154246446
Molecular FormulaC23H22F3N2O3-
Molecular Weight431.43 g/mol
Exact Mass431.16
IUPAC Name4-phenyl-4-[[5-(trifluoromethyl)-1H-indol-7-yl]methoxymethyl]piperidine-1-carboxylate
SMILESO=C([O-])N1CCC(COCc2cc(C(F)(F)F)cc3cc[nH]c23)(c2ccccc2)CC1
InChIInChI=1S/C23H23F3N2O3/c24-23(25,26)19-12-16-6-9-27-20(16)17(13-19)14-31-15-22(18-4-2-1-3-5-18)7-10-28(11-8-22)21(29)30/h1-6,9,12-13,27H,7-8,10-11,14-15H2,(H,29,30)/p-1
InChIKeyXBRFKPNVAFKKJD-UHFFFAOYSA-M
XLogP4.08
TPSA68.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.43
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-4-phenylpiperidin-1-yl]acetic acid
CID 19960197
4-(4-fluorophenyl)-4-[[2-methyl-6-(trifluoromethyl)benzotriazol-4-yl]methoxymethyl]piperidine-1-carboxylic acid
CID 67402917
4-(4-fluorophenyl)-4-[[1-methyl-6-(trifluoromethyl)benzotriazol-4-yl]methoxymethyl]piperidine-1-carboxylic acid
CID 67404680
methyl 3-[[4-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-4-phenylpiperidin-1-yl]amino]-3-oxopropanoate
CID 10414699
4-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-1-methylsulfonyl-4-phenylpiperidine
CID 10743826
4-[4-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-4-phenylpiperidin-1-yl]-2-methylbutanoic acid
CID 87236679
1-[(1-phenylcyclohexyl)methoxymethyl]-3,5-bis(trifluoromethyl)benzene
CID 71583093
methyl 4-[4-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-4-phenylpiperidin-1-yl]butanoate;hydrochloride
CID 19960232
4-[(3-cyano-2-fluoro-5-phenylphenyl)methoxymethyl]-4-phenylpiperidine-1-carboxylic acid
CID 69499551
3-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-N-(4-chlorophenyl)-3-phenylpiperidine-1-carboxamide
CID 42646198
tert-butyl 4-[(6-methyl-1H-benzimidazol-4-yl)methoxymethyl]-4-phenylpiperidine-1-carboxylate
CID 71035457
(4R)-4-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-4-phenylazepane
CID 11654898

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-4-[[5-(trifluoromethyl)-1H-indol-7-yl]methoxymethyl]piperidine-1-carboxylate?
The IUPAC name of 4-phenyl-4-[[5-(trifluoromethyl)-1H-indol-7-yl]methoxymethyl]piperidine-1-carboxylate (CID 154246446) is 4-phenyl-4-[[5-(trifluoromethyl)-1H-indol-7-yl]methoxymethyl]piperidine-1-carboxylate.
What is the SMILES notation for 4-phenyl-4-[[5-(trifluoromethyl)-1H-indol-7-yl]methoxymethyl]piperidine-1-carboxylate?
The canonical SMILES for 4-phenyl-4-[[5-(trifluoromethyl)-1H-indol-7-yl]methoxymethyl]piperidine-1-carboxylate is O=C([O-])N1CCC(COCc2cc(C(F)(F)F)cc3cc[nH]c23)(c2ccccc2)CC1.
What is the InChIKey of 4-phenyl-4-[[5-(trifluoromethyl)-1H-indol-7-yl]methoxymethyl]piperidine-1-carboxylate?
The InChIKey is XBRFKPNVAFKKJD-UHFFFAOYSA-M. The full InChI is InChI=1S/C23H23F3N2O3/c24-23(25,26)19-12-16-6-9-27-20(16)17(13-19)14-31-15-22(18-4-2-1-3-5-18)7-10-28(11-8-22)21(29)30/h1-6,9,12-13,27H,7-8,10-11,14-15H2,(H,29,30)/p-1.
What are the key properties of 4-phenyl-4-[[5-(trifluoromethyl)-1H-indol-7-yl]methoxymethyl]piperidine-1-carboxylate?
4-phenyl-4-[[5-(trifluoromethyl)-1H-indol-7-yl]methoxymethyl]piperidine-1-carboxylate has a molecular weight of 431.43 g/mol, XLogP of 4.08, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-4-[[5-(trifluoromethyl)-1H-indol-7-yl]methoxymethyl]piperidine-1-carboxylate is sourced from PubChem (CID 154246446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).