tert-butyl N-[4-[4-[2-(2,2,2-trifluoroethoxy)phenyl]piperidin-1-yl]cyclohexyl]carbamate

C24H35F3N2O3 — CID 58712711

IUPACtert-butyl N-[4-[4-[2-(2,2,2-trifluoroethoxy)phenyl]piperidin-1-yl]cyclohexyl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCC(N2CCC(c3ccccc3OCC(F)(F)F)CC2)CC1
InChIInChI=1S/C24H35F3N2O3/c1-23(2,3)32-22(30)28-18-8-10-19(11-9-18)29-14-12-17(13-15-29)20-6-4-5-7-21(20)31-16-24(25,26)27/h4-7,17-19H,8-16H2,1-3H3,(H,28,30)
InChIKeyFRWAJNGIHHLINL-UHFFFAOYSA-N
MW456.55 g/mol
LogP5.64
Rot. Bonds5

About tert-butyl N-[4-[4-[2-(2,2,2-trifluoroethoxy)phenyl]piperidin-1-yl]cyclohexyl]carbamate

tert-butyl N-[4-[4-[2-(2,2,2-trifluoroethoxy)phenyl]piperidin-1-yl]cyclohexyl]carbamate (PubChem CID 58712711) has the molecular formula C24H35F3N2O3 and a molecular weight of 456.55 g/mol. Its IUPAC name is tert-butyl N-[4-[4-[2-(2,2,2-trifluoroethoxy)phenyl]piperidin-1-yl]cyclohexyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-[4-[2-(2,2,2-trifluoroethoxy)phenyl]piperidin-1-yl]cyclohexyl]carbamate
PubChem CID58712711
Molecular FormulaC24H35F3N2O3
Molecular Weight456.55 g/mol
Exact Mass456.26
IUPAC Nametert-butyl N-[4-[4-[2-(2,2,2-trifluoroethoxy)phenyl]piperidin-1-yl]cyclohexyl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCC(N2CCC(c3ccccc3OCC(F)(F)F)CC2)CC1
InChIInChI=1S/C24H35F3N2O3/c1-23(2,3)32-22(30)28-18-8-10-19(11-9-18)29-14-12-17(13-15-29)20-6-4-5-7-21(20)31-16-24(25,26)27/h4-7,17-19H,8-16H2,1-3H3,(H,28,30)
InChIKeyFRWAJNGIHHLINL-UHFFFAOYSA-N
XLogP5.64
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.55
LogP ≤ 55.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[4-[4-[2-(2,2,2-trifluoroethoxy)phenyl]piperazin-1-yl]cyclohexyl]carbamate
CID 58683834
tert-butyl N-(1-cyclopropylazocan-5-yl)carbamate
CID 166867024
N-[4-[4-[2-(2,2,2-trifluoroethoxy)phenyl]piperidin-1-yl]cyclohexyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 11857791
tert-butyl N-[1-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]piperidin-4-yl]carbamate
CID 55921514
tert-butyl N-[(1R,3S)-3-(2-methoxyphenyl)cyclohexyl]carbamate
CID 139378064
tert-butyl N-(1-cyclohexylpiperidin-4-yl)carbamate
CID 53255880
tert-butyl N-[1-(4-ethoxycyclohexyl)piperidin-4-yl]carbamate
CID 159168644
(E)-N-[4-[4-(2-methylphenyl)piperidin-1-yl]cyclohexyl]-3-[2-(trifluoromethyl)phenyl]prop-2-enamide
CID 44525811
methyl 4-[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]piperazine-1-carboxylate
CID 166675225
tert-butyl N-[1-(1-tert-butylpiperidin-4-yl)piperidin-4-yl]carbamate
CID 139430473
tert-butyl (6R)-6-[4-[2-(trifluoromethylsulfonyloxy)phenyl]piperidin-1-yl]-2-azaspiro[3.4]octane-2-carboxylate
CID 156674588
tert-butyl N-[4-[2-[2-carbamoyloxy-4-(2-hydroxyethyl)phenyl]phenyl]cyclohexyl]carbamate
CID 90240197

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-[4-[2-(2,2,2-trifluoroethoxy)phenyl]piperidin-1-yl]cyclohexyl]carbamate?
The IUPAC name of tert-butyl N-[4-[4-[2-(2,2,2-trifluoroethoxy)phenyl]piperidin-1-yl]cyclohexyl]carbamate (CID 58712711) is tert-butyl N-[4-[4-[2-(2,2,2-trifluoroethoxy)phenyl]piperidin-1-yl]cyclohexyl]carbamate.
What is the SMILES notation for tert-butyl N-[4-[4-[2-(2,2,2-trifluoroethoxy)phenyl]piperidin-1-yl]cyclohexyl]carbamate?
The canonical SMILES for tert-butyl N-[4-[4-[2-(2,2,2-trifluoroethoxy)phenyl]piperidin-1-yl]cyclohexyl]carbamate is CC(C)(C)OC(=O)NC1CCC(N2CCC(c3ccccc3OCC(F)(F)F)CC2)CC1.
What is the InChIKey of tert-butyl N-[4-[4-[2-(2,2,2-trifluoroethoxy)phenyl]piperidin-1-yl]cyclohexyl]carbamate?
The InChIKey is FRWAJNGIHHLINL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35F3N2O3/c1-23(2,3)32-22(30)28-18-8-10-19(11-9-18)29-14-12-17(13-15-29)20-6-4-5-7-21(20)31-16-24(25,26)27/h4-7,17-19H,8-16H2,1-3H3,(H,28,30).
What are the key properties of tert-butyl N-[4-[4-[2-(2,2,2-trifluoroethoxy)phenyl]piperidin-1-yl]cyclohexyl]carbamate?
tert-butyl N-[4-[4-[2-(2,2,2-trifluoroethoxy)phenyl]piperidin-1-yl]cyclohexyl]carbamate has a molecular weight of 456.55 g/mol, XLogP of 5.64, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-[4-[2-(2,2,2-trifluoroethoxy)phenyl]piperidin-1-yl]cyclohexyl]carbamate is sourced from PubChem (CID 58712711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).