tert-butyl N-[(3R)-1-[2-(trifluoromethoxy)ethyl]piperidin-3-yl]carbamate

C13H23F3N2O3 — CID 146342935

IUPACtert-butyl N-[(3R)-1-[2-(trifluoromethoxy)ethyl]piperidin-3-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@@H]1CCCN(CCOC(F)(F)F)C1
InChIInChI=1S/C13H23F3N2O3/c1-12(2,3)21-11(19)17-10-5-4-6-18(9-10)7-8-20-13(14,15)16/h10H,4-9H2,1-3H3,(H,17,19)/t10-/m1/s1
InChIKeyWFSQBNWNNTWJDR-SNVBAGLBSA-N
MW312.33 g/mol
LogP2.51
Rot. Bonds4

About tert-butyl N-[(3R)-1-[2-(trifluoromethoxy)ethyl]piperidin-3-yl]carbamate

tert-butyl N-[(3R)-1-[2-(trifluoromethoxy)ethyl]piperidin-3-yl]carbamate (PubChem CID 146342935) has the molecular formula C13H23F3N2O3 and a molecular weight of 312.33 g/mol. Its IUPAC name is tert-butyl N-[(3R)-1-[2-(trifluoromethoxy)ethyl]piperidin-3-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(3R)-1-[2-(trifluoromethoxy)ethyl]piperidin-3-yl]carbamate
PubChem CID146342935
Molecular FormulaC13H23F3N2O3
Molecular Weight312.33 g/mol
Exact Mass312.17
IUPAC Nametert-butyl N-[(3R)-1-[2-(trifluoromethoxy)ethyl]piperidin-3-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@@H]1CCCN(CCOC(F)(F)F)C1
InChIInChI=1S/C13H23F3N2O3/c1-12(2,3)21-11(19)17-10-5-4-6-18(9-10)7-8-20-13(14,15)16/h10H,4-9H2,1-3H3,(H,17,19)/t10-/m1/s1
InChIKeyWFSQBNWNNTWJDR-SNVBAGLBSA-N
XLogP2.51
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.33
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(3R)-1-[2-(trifluoromethoxy)ethyl]piperidin-3-yl]carbamate?
The IUPAC name of tert-butyl N-[(3R)-1-[2-(trifluoromethoxy)ethyl]piperidin-3-yl]carbamate (CID 146342935) is tert-butyl N-[(3R)-1-[2-(trifluoromethoxy)ethyl]piperidin-3-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(3R)-1-[2-(trifluoromethoxy)ethyl]piperidin-3-yl]carbamate?
The canonical SMILES for tert-butyl N-[(3R)-1-[2-(trifluoromethoxy)ethyl]piperidin-3-yl]carbamate is CC(C)(C)OC(=O)N[C@@H]1CCCN(CCOC(F)(F)F)C1.
What is the InChIKey of tert-butyl N-[(3R)-1-[2-(trifluoromethoxy)ethyl]piperidin-3-yl]carbamate?
The InChIKey is WFSQBNWNNTWJDR-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H23F3N2O3/c1-12(2,3)21-11(19)17-10-5-4-6-18(9-10)7-8-20-13(14,15)16/h10H,4-9H2,1-3H3,(H,17,19)/t10-/m1/s1.
What are the key properties of tert-butyl N-[(3R)-1-[2-(trifluoromethoxy)ethyl]piperidin-3-yl]carbamate?
tert-butyl N-[(3R)-1-[2-(trifluoromethoxy)ethyl]piperidin-3-yl]carbamate has a molecular weight of 312.33 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(3R)-1-[2-(trifluoromethoxy)ethyl]piperidin-3-yl]carbamate is sourced from PubChem (CID 146342935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).