tert-butyl N-[1-hydroxy-1-[4-(trifluoromethyl)piperidin-1-yl]propan-2-yl]carbamate

C14H25F3N2O3 — CID 67145347

IUPACtert-butyl N-[1-hydroxy-1-[4-(trifluoromethyl)piperidin-1-yl]propan-2-yl]carbamate
SMILESCC(NC(=O)OC(C)(C)C)C(O)N1CCC(C(F)(F)F)CC1
InChIInChI=1S/C14H25F3N2O3/c1-9(18-12(21)22-13(2,3)4)11(20)19-7-5-10(6-8-19)14(15,16)17/h9-11,20H,5-8H2,1-4H3,(H,18,21)
InChIKeyGOWZSSCPSUZSTJ-UHFFFAOYSA-N
MW326.36 g/mol
LogP2.49
Rot. Bonds3

About tert-butyl N-[1-hydroxy-1-[4-(trifluoromethyl)piperidin-1-yl]propan-2-yl]carbamate

tert-butyl N-[1-hydroxy-1-[4-(trifluoromethyl)piperidin-1-yl]propan-2-yl]carbamate (PubChem CID 67145347) has the molecular formula C14H25F3N2O3 and a molecular weight of 326.36 g/mol. Its IUPAC name is tert-butyl N-[1-hydroxy-1-[4-(trifluoromethyl)piperidin-1-yl]propan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-hydroxy-1-[4-(trifluoromethyl)piperidin-1-yl]propan-2-yl]carbamate
PubChem CID67145347
Molecular FormulaC14H25F3N2O3
Molecular Weight326.36 g/mol
Exact Mass326.18
IUPAC Nametert-butyl N-[1-hydroxy-1-[4-(trifluoromethyl)piperidin-1-yl]propan-2-yl]carbamate
SMILESCC(NC(=O)OC(C)(C)C)C(O)N1CCC(C(F)(F)F)CC1
InChIInChI=1S/C14H25F3N2O3/c1-9(18-12(21)22-13(2,3)4)11(20)19-7-5-10(6-8-19)14(15,16)17/h9-11,20H,5-8H2,1-4H3,(H,18,21)
InChIKeyGOWZSSCPSUZSTJ-UHFFFAOYSA-N
XLogP2.49
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.36
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Tert-butyl 4-hydroxy-3-(methylamino)piperidine-1-carboxylate
CID 130003369
tert-butyl N-(2-hydroxyethyl)-N-(piperidin-3-yl)carbamate
CID 137698572
tert-Butyl ((3S,4R)-4-hydroxypiperidin-3-yl)carbamate
CID 86340187
tert-butyl N-[[(2S,3S)-1-(2-hydroxyethyl)-2-(trifluoromethyl)piperidin-3-yl]methyl]carbamate
CID 125421891
tert-butyl N-[[(2S,3S)-1-(3-hydroxypropyl)-2-(trifluoromethyl)piperidin-3-yl]methyl]carbamate
CID 125421913
(3S)-1-(Trifluoroacetyl)-3beta-(tert-butoxycarbonylamino)-4alpha-ethylpiperidine
CID 11209530
tert-butyl N-[4-ethyl-1-(2,2,2-trifluoroacetyl)piperidin-3-yl]carbamate
CID 18771310
(S)-tert-butyl 1-hydroxy-3-(4-(trifluoromethyl)piperidin-1-yl)propan-2-ylcarbamate
CID 58488328
tert-butyl N-[(3S,5R)-5-hydroxy-1-(2,2,2-trifluoroacetyl)piperidin-3-yl]carbamate
CID 58865907
tert-butyl N-[(3S,4R)-3-fluoro-1-(2-hydroxyethyl)piperidin-4-yl]carbamate
CID 60200122
Tert-butyl 3-amino-4-(trifluoromethyl)piperidine-1-carboxylate
CID 67035570
tert-Butyl trans-3-amino-4-(trifluoromethyl)piperidine-1-carboxylate
CID 67035574

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-hydroxy-1-[4-(trifluoromethyl)piperidin-1-yl]propan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[1-hydroxy-1-[4-(trifluoromethyl)piperidin-1-yl]propan-2-yl]carbamate (CID 67145347) is tert-butyl N-[1-hydroxy-1-[4-(trifluoromethyl)piperidin-1-yl]propan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-hydroxy-1-[4-(trifluoromethyl)piperidin-1-yl]propan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-hydroxy-1-[4-(trifluoromethyl)piperidin-1-yl]propan-2-yl]carbamate is CC(NC(=O)OC(C)(C)C)C(O)N1CCC(C(F)(F)F)CC1.
What is the InChIKey of tert-butyl N-[1-hydroxy-1-[4-(trifluoromethyl)piperidin-1-yl]propan-2-yl]carbamate?
The InChIKey is GOWZSSCPSUZSTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25F3N2O3/c1-9(18-12(21)22-13(2,3)4)11(20)19-7-5-10(6-8-19)14(15,16)17/h9-11,20H,5-8H2,1-4H3,(H,18,21).
What are the key properties of tert-butyl N-[1-hydroxy-1-[4-(trifluoromethyl)piperidin-1-yl]propan-2-yl]carbamate?
tert-butyl N-[1-hydroxy-1-[4-(trifluoromethyl)piperidin-1-yl]propan-2-yl]carbamate has a molecular weight of 326.36 g/mol, XLogP of 2.49, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-hydroxy-1-[4-(trifluoromethyl)piperidin-1-yl]propan-2-yl]carbamate is sourced from PubChem (CID 67145347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).