tert-butyl N-[(2R,4R)-4-[(1R)-1-phenylethyl]-2-(trifluoromethyl)piperidin-4-yl]carbamate

C19H27F3N2O2 — CID 68563505

IUPACtert-butyl N-[(2R,4R)-4-[(1R)-1-phenylethyl]-2-(trifluoromethyl)piperidin-4-yl]carbamate
SMILESC[C@H](c1ccccc1)[C@@]1(NC(=O)OC(C)(C)C)CCN[C@@H](C(F)(F)F)C1
InChIInChI=1S/C19H27F3N2O2/c1-13(14-8-6-5-7-9-14)18(24-16(25)26-17(2,3)4)10-11-23-15(12-18)19(20,21)22/h5-9,13,15,23H,10-12H2,1-4H3,(H,24,25)/t13-,15-,18-/m1/s1
InChIKeyCJQWUCCHRAOPBV-DDUZABMNSA-N
MW372.43 g/mol
LogP4.37
Rot. Bonds3

About tert-butyl N-[(2R,4R)-4-[(1R)-1-phenylethyl]-2-(trifluoromethyl)piperidin-4-yl]carbamate

tert-butyl N-[(2R,4R)-4-[(1R)-1-phenylethyl]-2-(trifluoromethyl)piperidin-4-yl]carbamate (PubChem CID 68563505) has the molecular formula C19H27F3N2O2 and a molecular weight of 372.43 g/mol. Its IUPAC name is tert-butyl N-[(2R,4R)-4-[(1R)-1-phenylethyl]-2-(trifluoromethyl)piperidin-4-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2R,4R)-4-[(1R)-1-phenylethyl]-2-(trifluoromethyl)piperidin-4-yl]carbamate
PubChem CID68563505
Molecular FormulaC19H27F3N2O2
Molecular Weight372.43 g/mol
Exact Mass372.20
IUPAC Nametert-butyl N-[(2R,4R)-4-[(1R)-1-phenylethyl]-2-(trifluoromethyl)piperidin-4-yl]carbamate
SMILESC[C@H](c1ccccc1)[C@@]1(NC(=O)OC(C)(C)C)CCN[C@@H](C(F)(F)F)C1
InChIInChI=1S/C19H27F3N2O2/c1-13(14-8-6-5-7-9-14)18(24-16(25)26-17(2,3)4)10-11-23-15(12-18)19(20,21)22/h5-9,13,15,23H,10-12H2,1-4H3,(H,24,25)/t13-,15-,18-/m1/s1
InChIKeyCJQWUCCHRAOPBV-DDUZABMNSA-N
XLogP4.37
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze tert-butyl N-[(2R,4R)-4-[(1R)-1-phenylethyl]-2-(trifluoromethyl)piperidin-4-yl]carbamate with MolForge

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Related Compounds

tert-butyl N-[(3aS,6aR)-3a-fluoro-2-[(1R)-1-phenylethyl]-3,4,5,6-tetrahydro-1H-cyclopenta[c]pyrrol-6a-yl]carbamate
CID 67491116
tert-butyl N-[(1R,5R)-5-fluoro-3-[(1R)-1-phenylethyl]-3-azabicyclo[3.2.0]heptan-1-yl]carbamate
CID 67490921
tert-butyl N-[azetidin-2-yl(phenyl)methyl]carbamate
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tert-butyl N-[phenyl(phenylsulfanyl)methyl]carbamate
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tert-butyl N-[2-oxo-3-(1-phenylethyl)-3-azabicyclo[3.1.0]hexan-1-yl]carbamate
CID 144619198
tert-butyl N-(1-propan-2-ylcyclopropyl)carbamate
CID 20811777
tert-butyl N-[(3aR,6aR)-3a-chloro-2-[(1R)-1-phenylethyl]-3,4,5,6-tetrahydro-1H-cyclopenta[c]pyrrol-6a-yl]carbamate
CID 67490881
tert-butyl N-[(3aS,6aR)-3a-chloro-2-[(1R)-1-phenylethyl]-3,4,5,6-tetrahydro-1H-cyclopenta[c]pyrrol-6a-yl]carbamate
CID 69173797
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tert-butyl N-(1-aminocyclohexyl)carbamate;(2R)-2-hydroxy-2-phenylacetic acid
CID 154810075
cis-(1S,2S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylcyclopropane-1-carboxylic acid
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2R,4R)-4-[(1R)-1-phenylethyl]-2-(trifluoromethyl)piperidin-4-yl]carbamate?
The IUPAC name of tert-butyl N-[(2R,4R)-4-[(1R)-1-phenylethyl]-2-(trifluoromethyl)piperidin-4-yl]carbamate (CID 68563505) is tert-butyl N-[(2R,4R)-4-[(1R)-1-phenylethyl]-2-(trifluoromethyl)piperidin-4-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(2R,4R)-4-[(1R)-1-phenylethyl]-2-(trifluoromethyl)piperidin-4-yl]carbamate?
The canonical SMILES for tert-butyl N-[(2R,4R)-4-[(1R)-1-phenylethyl]-2-(trifluoromethyl)piperidin-4-yl]carbamate is C[C@H](c1ccccc1)[C@@]1(NC(=O)OC(C)(C)C)CCN[C@@H](C(F)(F)F)C1.
What is the InChIKey of tert-butyl N-[(2R,4R)-4-[(1R)-1-phenylethyl]-2-(trifluoromethyl)piperidin-4-yl]carbamate?
The InChIKey is CJQWUCCHRAOPBV-DDUZABMNSA-N. The full InChI is InChI=1S/C19H27F3N2O2/c1-13(14-8-6-5-7-9-14)18(24-16(25)26-17(2,3)4)10-11-23-15(12-18)19(20,21)22/h5-9,13,15,23H,10-12H2,1-4H3,(H,24,25)/t13-,15-,18-/m1/s1.
What are the key properties of tert-butyl N-[(2R,4R)-4-[(1R)-1-phenylethyl]-2-(trifluoromethyl)piperidin-4-yl]carbamate?
tert-butyl N-[(2R,4R)-4-[(1R)-1-phenylethyl]-2-(trifluoromethyl)piperidin-4-yl]carbamate has a molecular weight of 372.43 g/mol, XLogP of 4.37, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2R,4R)-4-[(1R)-1-phenylethyl]-2-(trifluoromethyl)piperidin-4-yl]carbamate is sourced from PubChem (CID 68563505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).