4-[4-fluoro-3-(trifluoromethyl)phenyl]-3-(hydroxymethyl)piperidine-1-carboxylate

C14H14F4NO3- — CID 154056222

IUPAC4-[4-fluoro-3-(trifluoromethyl)phenyl]-3-(hydroxymethyl)piperidine-1-carboxylate
SMILESO=C([O-])N1CCC(c2ccc(F)c(C(F)(F)F)c2)C(CO)C1
InChIInChI=1S/C14H15F4NO3/c15-12-2-1-8(5-11(12)14(16,17)18)10-3-4-19(13(21)22)6-9(10)7-20/h1-2,5,9-10,20H,3-4,6-7H2,(H,21,22)/p-1
InChIKeySQVSGUGCBBPTIS-UHFFFAOYSA-M
MW320.26 g/mol
LogP1.59
Rot. Bonds2

About 4-[4-fluoro-3-(trifluoromethyl)phenyl]-3-(hydroxymethyl)piperidine-1-carboxylate

4-[4-fluoro-3-(trifluoromethyl)phenyl]-3-(hydroxymethyl)piperidine-1-carboxylate (PubChem CID 154056222) has the molecular formula C14H14F4NO3- and a molecular weight of 320.26 g/mol. Its IUPAC name is 4-[4-fluoro-3-(trifluoromethyl)phenyl]-3-(hydroxymethyl)piperidine-1-carboxylate.

Molecular Properties

Compound Name4-[4-fluoro-3-(trifluoromethyl)phenyl]-3-(hydroxymethyl)piperidine-1-carboxylate
PubChem CID154056222
Molecular FormulaC14H14F4NO3-
Molecular Weight320.26 g/mol
Exact Mass320.09
IUPAC Name4-[4-fluoro-3-(trifluoromethyl)phenyl]-3-(hydroxymethyl)piperidine-1-carboxylate
SMILESO=C([O-])N1CCC(c2ccc(F)c(C(F)(F)F)c2)C(CO)C1
InChIInChI=1S/C14H15F4NO3/c15-12-2-1-8(5-11(12)14(16,17)18)10-3-4-19(13(21)22)6-9(10)7-20/h1-2,5,9-10,20H,3-4,6-7H2,(H,21,22)/p-1
InChIKeySQVSGUGCBBPTIS-UHFFFAOYSA-M
XLogP1.59
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.26
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl (3S,4S)-4-[4-fluoro-3-(trifluoromethyl)phenyl]-3-hydroxypiperidine-1-carboxylate
CID 95566722
3-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidine-1-carboxylate
CID 22128208
3-(hydroxymethyl)-4-(4-hydroxyphenyl)piperidine-1-carboxylic acid
CID 141028358
2-[4-fluoro-3-(trifluoromethyl)phenyl]cyclopentan-1-ol
CID 107289990
prop-2-enyl (3R,4S)-4-(4-fluorophenyl)-3-(hydroxymethyl)piperidine-1-carboxylate
CID 11011830
N-[[2-[4-fluoro-3-(trifluoromethyl)phenyl]cyclobutyl]methyl]-2-methylpropan-2-amine
CID 107290751
2-[4-fluoro-3-(trifluoromethyl)phenyl]cycloheptan-1-amine
CID 107290007
tert-butyl (3S,4R)-4-(4-bromophenyl)-3-(hydroxymethyl)piperidine-1-carboxylate
CID 126678374
[4-fluoro-3-(trifluoromethyl)phenyl]-[3-(methylamino)pyrrolidin-1-yl]methanone
CID 81467076
(3R,4R)-N-(4-fluorophenyl)-3-(hydroxymethyl)-N-methyl-4-phenylpiperidine-1-carboxamide
CID 126806042
2-[1-[4-fluoro-3-(trifluoromethyl)phenyl]pyrrolidin-3-yl]oxyacetate
CID 58466069
4-[4-fluoro-3-(trifluoromethyl)phenyl]piperidine
CID 16679514

Frequently Asked Questions

What is the IUPAC name of 4-[4-fluoro-3-(trifluoromethyl)phenyl]-3-(hydroxymethyl)piperidine-1-carboxylate?
The IUPAC name of 4-[4-fluoro-3-(trifluoromethyl)phenyl]-3-(hydroxymethyl)piperidine-1-carboxylate (CID 154056222) is 4-[4-fluoro-3-(trifluoromethyl)phenyl]-3-(hydroxymethyl)piperidine-1-carboxylate.
What is the SMILES notation for 4-[4-fluoro-3-(trifluoromethyl)phenyl]-3-(hydroxymethyl)piperidine-1-carboxylate?
The canonical SMILES for 4-[4-fluoro-3-(trifluoromethyl)phenyl]-3-(hydroxymethyl)piperidine-1-carboxylate is O=C([O-])N1CCC(c2ccc(F)c(C(F)(F)F)c2)C(CO)C1.
What is the InChIKey of 4-[4-fluoro-3-(trifluoromethyl)phenyl]-3-(hydroxymethyl)piperidine-1-carboxylate?
The InChIKey is SQVSGUGCBBPTIS-UHFFFAOYSA-M. The full InChI is InChI=1S/C14H15F4NO3/c15-12-2-1-8(5-11(12)14(16,17)18)10-3-4-19(13(21)22)6-9(10)7-20/h1-2,5,9-10,20H,3-4,6-7H2,(H,21,22)/p-1.
What are the key properties of 4-[4-fluoro-3-(trifluoromethyl)phenyl]-3-(hydroxymethyl)piperidine-1-carboxylate?
4-[4-fluoro-3-(trifluoromethyl)phenyl]-3-(hydroxymethyl)piperidine-1-carboxylate has a molecular weight of 320.26 g/mol, XLogP of 1.59, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-fluoro-3-(trifluoromethyl)phenyl]-3-(hydroxymethyl)piperidine-1-carboxylate is sourced from PubChem (CID 154056222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).