4-{4-[6-(6-Trifluoromethyl-pyridin-3-ylamino)-pyridin-3-yl]-phenyl}-piperidine-1-carboxylic acid tert-butyl ester

HCID 66615916
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Basic information

Standard SMILES
CC(C)(C)OC(=O)N1CCC(c2ccc(-c3ccc(Nc4ccc(C(F)(F)F)nc4)nc3)cc2)CC1
InChIKey
KLMGLQXBSASLRT-UHFFFAOYSA-N
Molecular formula
C27H29F3N4O2
Average molar mass
498.5 g/mol

Names & identifiers

Preferred name
4-{4-[6-(6-Trifluoromethyl-pyridin-3-ylamino)-pyridin-3-yl]-phenyl}-piperidine-1-carboxylic acid tert-butyl ester
IUPAC
tert-butyl 4-[4-[6-[[6-(trifluoromethyl)-3-pyridinyl]amino]-3-pyridinyl]phenyl]piperidine-1-carboxylate

Names & synonyms

4-{4-[6-(6-Trifluoromethyl-pyridin-3-ylamino)-pyridin-3-yl]-phenyl}-piperidine-1-carboxylic acid tert-butyl esterSCHEMBL181069

Database identifiers

PubChem CID
66615916

Properties

Computed structural properties

XLogP
5.6
Topological polar surface area
67.4 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
8
Rotatable bonds
6
Heavy atoms
36

Related reactions

4 records
New reaction record

Compound notes

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