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

C19H26F3NO3 — CID 163385509

IUPACtert-butyl 4-hydroxy-4-[1-[4-(trifluoromethyl)phenyl]ethyl]piperidine-1-carboxylate
SMILESCC(c1ccc(C(F)(F)F)cc1)C1(O)CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C19H26F3NO3/c1-13(14-5-7-15(8-6-14)19(20,21)22)18(25)9-11-23(12-10-18)16(24)26-17(2,3)4/h5-8,13,25H,9-12H2,1-4H3
InChIKeyWOLNOWRFQHIRBN-UHFFFAOYSA-N
MW373.42 g/mol
LogP4.57
Rot. Bonds2

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

tert-butyl 4-hydroxy-4-[1-[4-(trifluoromethyl)phenyl]ethyl]piperidine-1-carboxylate (PubChem CID 163385509) has the molecular formula C19H26F3NO3 and a molecular weight of 373.42 g/mol. Its IUPAC name is tert-butyl 4-hydroxy-4-[1-[4-(trifluoromethyl)phenyl]ethyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-hydroxy-4-[1-[4-(trifluoromethyl)phenyl]ethyl]piperidine-1-carboxylate
PubChem CID163385509
Molecular FormulaC19H26F3NO3
Molecular Weight373.42 g/mol
Exact Mass373.19
IUPAC Nametert-butyl 4-hydroxy-4-[1-[4-(trifluoromethyl)phenyl]ethyl]piperidine-1-carboxylate
SMILESCC(c1ccc(C(F)(F)F)cc1)C1(O)CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C19H26F3NO3/c1-13(14-5-7-15(8-6-14)19(20,21)22)18(25)9-11-23(12-10-18)16(24)26-17(2,3)4/h5-8,13,25H,9-12H2,1-4H3
InChIKeyWOLNOWRFQHIRBN-UHFFFAOYSA-N
XLogP4.57
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.42
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 4-cyano-4-[1-[4-(trifluoromethyl)phenyl]ethyl]piperidine-1-carboxylate
CID 155344135
(2R)-2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-2-[4-(trifluoromethyl)phenyl]acetic acid
CID 7009980
tert-butyl 4-amino-4-[[4-(trifluoromethyl)phenyl]methyl]piperidine-1-carboxylate
CID 86276711
tert-butyl 4-formyl-4-[4-(trifluoromethyl)phenyl]piperidine-1-carboxylate
CID 139270563
tert-butyl 4-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]piperazine-1-carboxylate
CID 178151027
tert-butyl 4-[2-bromo-2-[4-(trifluoromethyl)phenyl]ethyl]piperazine-1-carboxylate
CID 178149636
tert-butyl 3-[1-[4-(trifluoromethyl)phenyl]ethoxy]azetidine-1-carboxylate
CID 151071009
1-O-tert-butyl 4-O-ethyl 4-[chloro-bis[4-(trifluoromethyl)phenyl]methyl]piperidine-1,4-dicarboxylate
CID 86633665
tert-butyl 4-[2-(1-hydroxycyclobutyl)-2-[3-(trifluoromethyl)phenyl]acetyl]piperazine-1-carboxylate
CID 68862687
tert-butyl 3-[2-amino-2-oxo-1-[4-(trifluoromethyl)phenyl]ethyl]-3-cyanopyrrolidine-1-carboxylate
CID 155168200
tert-butyl 4-[[2-[[(2S)-1-methoxy-1-oxopropan-2-yl]-[(1S)-1-[4-(trifluoromethyl)phenyl]ethyl]amino]-2-oxoethyl]amino]-4-methylpiperidine-1-carboxylate
CID 11752884
tert-butyl 4-[(1S)-1-(3,5-difluorophenyl)ethyl]-4-fluoropiperidine-1-carboxylate
CID 163385674

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-hydroxy-4-[1-[4-(trifluoromethyl)phenyl]ethyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-hydroxy-4-[1-[4-(trifluoromethyl)phenyl]ethyl]piperidine-1-carboxylate (CID 163385509) is tert-butyl 4-hydroxy-4-[1-[4-(trifluoromethyl)phenyl]ethyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-hydroxy-4-[1-[4-(trifluoromethyl)phenyl]ethyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-hydroxy-4-[1-[4-(trifluoromethyl)phenyl]ethyl]piperidine-1-carboxylate is CC(c1ccc(C(F)(F)F)cc1)C1(O)CCN(C(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl 4-hydroxy-4-[1-[4-(trifluoromethyl)phenyl]ethyl]piperidine-1-carboxylate?
The InChIKey is WOLNOWRFQHIRBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26F3NO3/c1-13(14-5-7-15(8-6-14)19(20,21)22)18(25)9-11-23(12-10-18)16(24)26-17(2,3)4/h5-8,13,25H,9-12H2,1-4H3.
What are the key properties of tert-butyl 4-hydroxy-4-[1-[4-(trifluoromethyl)phenyl]ethyl]piperidine-1-carboxylate?
tert-butyl 4-hydroxy-4-[1-[4-(trifluoromethyl)phenyl]ethyl]piperidine-1-carboxylate has a molecular weight of 373.42 g/mol, XLogP of 4.57, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-hydroxy-4-[1-[4-(trifluoromethyl)phenyl]ethyl]piperidine-1-carboxylate is sourced from PubChem (CID 163385509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).