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

C23H34F3N3O3 — CID 58683834

IUPACtert-butyl N-[4-[4-[2-(2,2,2-trifluoroethoxy)phenyl]piperazin-1-yl]cyclohexyl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCC(N2CCN(c3ccccc3OCC(F)(F)F)CC2)CC1
InChIInChI=1S/C23H34F3N3O3/c1-22(2,3)32-21(30)27-17-8-10-18(11-9-17)28-12-14-29(15-13-28)19-6-4-5-7-20(19)31-16-23(24,25)26/h4-7,17-18H,8-16H2,1-3H3,(H,27,30)
InChIKeyJJKUBGCLOMGWJM-UHFFFAOYSA-N
MW457.54 g/mol
LogP4.59
Rot. Bonds5

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

tert-butyl N-[4-[4-[2-(2,2,2-trifluoroethoxy)phenyl]piperazin-1-yl]cyclohexyl]carbamate (PubChem CID 58683834) has the molecular formula C23H34F3N3O3 and a molecular weight of 457.54 g/mol. Its IUPAC name is tert-butyl N-[4-[4-[2-(2,2,2-trifluoroethoxy)phenyl]piperazin-1-yl]cyclohexyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-[4-[2-(2,2,2-trifluoroethoxy)phenyl]piperazin-1-yl]cyclohexyl]carbamate
PubChem CID58683834
Molecular FormulaC23H34F3N3O3
Molecular Weight457.54 g/mol
Exact Mass457.26
IUPAC Nametert-butyl N-[4-[4-[2-(2,2,2-trifluoroethoxy)phenyl]piperazin-1-yl]cyclohexyl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCC(N2CCN(c3ccccc3OCC(F)(F)F)CC2)CC1
InChIInChI=1S/C23H34F3N3O3/c1-22(2,3)32-21(30)27-17-8-10-18(11-9-17)28-12-14-29(15-13-28)19-6-4-5-7-20(19)31-16-23(24,25)26/h4-7,17-18H,8-16H2,1-3H3,(H,27,30)
InChIKeyJJKUBGCLOMGWJM-UHFFFAOYSA-N
XLogP4.59
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.54
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-[4-[4-[2-(2,2,2-trifluoroethoxy)phenyl]piperidin-1-yl]cyclohexyl]carbamate
CID 58712711
tert-butyl N-(1-cyclopropylazocan-5-yl)carbamate
CID 166867024
tert-butyl N-[1-(2-pyrrolidin-1-ylphenyl)piperidin-4-yl]carbamate
CID 168513935
butan-1-amine;1-cyclohexyl-4-[2-(2,2,2-trifluoroethoxy)phenyl]piperazine;methane
CID 143225633
1-(2,4-difluorophenyl)-3-[4-[4-(2-ethoxyphenyl)piperazin-1-yl]cyclohexyl]urea
CID 143389111
tert-butyl N-[1-[2-(aminomethyl)phenyl]piperidin-4-yl]carbamate
CID 67417632
methyl 4-[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]piperazine-1-carboxylate
CID 166675225
tert-butyl N-[1-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]piperidin-4-yl]carbamate
CID 55921514
tert-butyl 4-[2-[2-(methanesulfonamido)-2-methylpropoxy]phenyl]piperazine-1-carboxylate
CID 18436785
tert-butyl N-[4-(2,3-dihydro-1H-inden-2-ylamino)cyclohexyl]carbamate;ethane
CID 91059787
tert-butyl N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]carbamate
CID 86625881
tert-butyl N-[1-(2-azidophenyl)piperidin-4-yl]carbamate
CID 169325609

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-[4-[2-(2,2,2-trifluoroethoxy)phenyl]piperazin-1-yl]cyclohexyl]carbamate?
The IUPAC name of tert-butyl N-[4-[4-[2-(2,2,2-trifluoroethoxy)phenyl]piperazin-1-yl]cyclohexyl]carbamate (CID 58683834) is tert-butyl N-[4-[4-[2-(2,2,2-trifluoroethoxy)phenyl]piperazin-1-yl]cyclohexyl]carbamate.
What is the SMILES notation for tert-butyl N-[4-[4-[2-(2,2,2-trifluoroethoxy)phenyl]piperazin-1-yl]cyclohexyl]carbamate?
The canonical SMILES for tert-butyl N-[4-[4-[2-(2,2,2-trifluoroethoxy)phenyl]piperazin-1-yl]cyclohexyl]carbamate is CC(C)(C)OC(=O)NC1CCC(N2CCN(c3ccccc3OCC(F)(F)F)CC2)CC1.
What is the InChIKey of tert-butyl N-[4-[4-[2-(2,2,2-trifluoroethoxy)phenyl]piperazin-1-yl]cyclohexyl]carbamate?
The InChIKey is JJKUBGCLOMGWJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34F3N3O3/c1-22(2,3)32-21(30)27-17-8-10-18(11-9-17)28-12-14-29(15-13-28)19-6-4-5-7-20(19)31-16-23(24,25)26/h4-7,17-18H,8-16H2,1-3H3,(H,27,30).
What are the key properties of tert-butyl N-[4-[4-[2-(2,2,2-trifluoroethoxy)phenyl]piperazin-1-yl]cyclohexyl]carbamate?
tert-butyl N-[4-[4-[2-(2,2,2-trifluoroethoxy)phenyl]piperazin-1-yl]cyclohexyl]carbamate has a molecular weight of 457.54 g/mol, XLogP of 4.59, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-[4-[2-(2,2,2-trifluoroethoxy)phenyl]piperazin-1-yl]cyclohexyl]carbamate is sourced from PubChem (CID 58683834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).