tert-butyl 4-[[4-(trifluoromethyl)phenyl]methoxy]piperidine-1-carboxylate

C18H24F3NO3 — CID 23081330

IUPACtert-butyl 4-[[4-(trifluoromethyl)phenyl]methoxy]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(OCc2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C18H24F3NO3/c1-17(2,3)25-16(23)22-10-8-15(9-11-22)24-12-13-4-6-14(7-5-13)18(19,20)21/h4-7,15H,8-12H2,1-3H3
InChIKeyDEWRLQUTCKCMEH-UHFFFAOYSA-N
MW359.39 g/mol
LogP4.62
Rot. Bonds3

About tert-butyl 4-[[4-(trifluoromethyl)phenyl]methoxy]piperidine-1-carboxylate

tert-butyl 4-[[4-(trifluoromethyl)phenyl]methoxy]piperidine-1-carboxylate (PubChem CID 23081330) has the molecular formula C18H24F3NO3 and a molecular weight of 359.39 g/mol. Its IUPAC name is tert-butyl 4-[[4-(trifluoromethyl)phenyl]methoxy]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[[4-(trifluoromethyl)phenyl]methoxy]piperidine-1-carboxylate
PubChem CID23081330
Molecular FormulaC18H24F3NO3
Molecular Weight359.39 g/mol
Exact Mass359.17
IUPAC Nametert-butyl 4-[[4-(trifluoromethyl)phenyl]methoxy]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(OCc2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C18H24F3NO3/c1-17(2,3)25-16(23)22-10-8-15(9-11-22)24-12-13-4-6-14(7-5-13)18(19,20)21/h4-7,15H,8-12H2,1-3H3
InChIKeyDEWRLQUTCKCMEH-UHFFFAOYSA-N
XLogP4.62
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.39
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Benzyl 4-Hydroxy-1-piperidinecarboxylate
CID 2794620
4-[[[3,5-Bis(trifluoromethyl)benzyl]oxy]methyl]-4-phenylpiperidine-1-carboxylic acid tert-butyl ester
CID 10369316
N-methyl-2-[4-[[4-(trifluoromethyl)phenyl]methoxy]piperidin-1-yl]ethanamine
CID 134137361
Benzyl 1-oxa-6-azaspiro(2.5)octane-6-carboxylate
CID 13016598
Benzyl 4-methylidenepiperidine-1-carboxylate
CID 15519136
Tert-butyl 4-((3-bromobenzyl)oxy)piperidine-1-carboxylate
CID 49657911
rac-benzyl (2R,4R)-4-hydroxy-2-methylpiperidine-1-carboxylate
CID 10586714
tert-Butyl 4-(benzyloxy)piperidine-1-carboxylate
CID 11694980
Benzyl 4-(2-ethoxy-2-oxoethylidene)piperidine-1-carboxylate
CID 12954053
Benzyl cyanomethyl(4-(piperidin-1-yl)butyl)carbamate
CID 46881925
Benzyl piperidine-1-carboxylate
CID 228749
4-Morpholinecarboxylic acid, 2-(2-(4-methylphenyl)-4-morpholinyl)ethyl ester, monohydrochloride
CID 3075556

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[[4-(trifluoromethyl)phenyl]methoxy]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[[4-(trifluoromethyl)phenyl]methoxy]piperidine-1-carboxylate (CID 23081330) is tert-butyl 4-[[4-(trifluoromethyl)phenyl]methoxy]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[[4-(trifluoromethyl)phenyl]methoxy]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[[4-(trifluoromethyl)phenyl]methoxy]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(OCc2ccc(C(F)(F)F)cc2)CC1.
What is the InChIKey of tert-butyl 4-[[4-(trifluoromethyl)phenyl]methoxy]piperidine-1-carboxylate?
The InChIKey is DEWRLQUTCKCMEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24F3NO3/c1-17(2,3)25-16(23)22-10-8-15(9-11-22)24-12-13-4-6-14(7-5-13)18(19,20)21/h4-7,15H,8-12H2,1-3H3.
What are the key properties of tert-butyl 4-[[4-(trifluoromethyl)phenyl]methoxy]piperidine-1-carboxylate?
tert-butyl 4-[[4-(trifluoromethyl)phenyl]methoxy]piperidine-1-carboxylate has a molecular weight of 359.39 g/mol, XLogP of 4.62, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[[4-(trifluoromethyl)phenyl]methoxy]piperidine-1-carboxylate is sourced from PubChem (CID 23081330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).