tert-butyl 4-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]piperidine-1-carboxylate

C19H26F3NO3 — CID 154715390

IUPACtert-butyl 4-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(CC(O)c2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C19H26F3NO3/c1-18(2,3)26-17(25)23-10-8-13(9-11-23)12-16(24)14-4-6-15(7-5-14)19(20,21)22/h4-7,13,16,24H,8-12H2,1-3H3
InChIKeyMOAKDOVSECWMMB-UHFFFAOYSA-N
MW373.42 g/mol
LogP4.78
Rot. Bonds3

About tert-butyl 4-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]piperidine-1-carboxylate

tert-butyl 4-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]piperidine-1-carboxylate (PubChem CID 154715390) has the molecular formula C19H26F3NO3 and a molecular weight of 373.42 g/mol. Its IUPAC name is tert-butyl 4-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]piperidine-1-carboxylate
PubChem CID154715390
Molecular FormulaC19H26F3NO3
Molecular Weight373.42 g/mol
Exact Mass373.19
IUPAC Nametert-butyl 4-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(CC(O)c2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C19H26F3NO3/c1-18(2,3)26-17(25)23-10-8-13(9-11-23)12-16(24)14-4-6-15(7-5-14)19(20,21)22/h4-7,13,16,24H,8-12H2,1-3H3
InChIKeyMOAKDOVSECWMMB-UHFFFAOYSA-N
XLogP4.78
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.42
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

US11078186, Example 56
CID 149309349
Tolperisone metabolite
CID 121335
Ethyl 4-hydroxy-4-(2,4,5-trimethylphenyl)piperidine-1-carboxylate
CID 3243816
US11078186, Example 26
CID 134499099
US11078186, Example 12
CID 134506855
US11078186, Example 17
CID 134506856
US11078186, Example 10
CID 134506858
US11078186, Example 14
CID 134506859
US11078186, Example 8
CID 134506969
US11078186, Example 9
CID 134506972
US11078186, Example 16
CID 146965259
US11078186, Example 57
CID 149309350

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]piperidine-1-carboxylate (CID 154715390) is tert-butyl 4-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(CC(O)c2ccc(C(F)(F)F)cc2)CC1.
What is the InChIKey of tert-butyl 4-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]piperidine-1-carboxylate?
The InChIKey is MOAKDOVSECWMMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26F3NO3/c1-18(2,3)26-17(25)23-10-8-13(9-11-23)12-16(24)14-4-6-15(7-5-14)19(20,21)22/h4-7,13,16,24H,8-12H2,1-3H3.
What are the key properties of tert-butyl 4-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]piperidine-1-carboxylate?
tert-butyl 4-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]piperidine-1-carboxylate has a molecular weight of 373.42 g/mol, XLogP of 4.78, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]piperidine-1-carboxylate is sourced from PubChem (CID 154715390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).