tert-butyl N-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]carbamate

C17H23F3N2O2 — CID 21090462

IUPACtert-butyl N-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCN(c2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C17H23F3N2O2/c1-16(2,3)24-15(23)21-13-8-10-22(11-9-13)14-6-4-12(5-7-14)17(18,19)20/h4-7,13H,8-11H2,1-3H3,(H,21,23)
InChIKeyIQFKAMOEAXTWBV-UHFFFAOYSA-N
MW344.38 g/mol
LogP4.20
Rot. Bonds2

About tert-butyl N-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]carbamate

tert-butyl N-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]carbamate (PubChem CID 21090462) has the molecular formula C17H23F3N2O2 and a molecular weight of 344.38 g/mol. Its IUPAC name is tert-butyl N-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]carbamate
PubChem CID21090462
Molecular FormulaC17H23F3N2O2
Molecular Weight344.38 g/mol
Exact Mass344.17
IUPAC Nametert-butyl N-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCN(c2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C17H23F3N2O2/c1-16(2,3)24-15(23)21-13-8-10-22(11-9-13)14-6-4-12(5-7-14)17(18,19)20/h4-7,13H,8-11H2,1-3H3,(H,21,23)
InChIKeyIQFKAMOEAXTWBV-UHFFFAOYSA-N
XLogP4.20
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.38
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]carbamate?
The IUPAC name of tert-butyl N-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]carbamate (CID 21090462) is tert-butyl N-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]carbamate is CC(C)(C)OC(=O)NC1CCN(c2ccc(C(F)(F)F)cc2)CC1.
What is the InChIKey of tert-butyl N-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]carbamate?
The InChIKey is IQFKAMOEAXTWBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23F3N2O2/c1-16(2,3)24-15(23)21-13-8-10-22(11-9-13)14-6-4-12(5-7-14)17(18,19)20/h4-7,13H,8-11H2,1-3H3,(H,21,23).
What are the key properties of tert-butyl N-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]carbamate?
tert-butyl N-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]carbamate has a molecular weight of 344.38 g/mol, XLogP of 4.20, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]carbamate is sourced from PubChem (CID 21090462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).