4-(trifluoromethoxy)piperidine-1-carboxylic acid

C7H10F3NO3 — CID 118662288

IUPAC4-(trifluoromethoxy)piperidine-1-carboxylic acid
SMILESO=C(O)N1CCC(OC(F)(F)F)CC1
InChIInChI=1S/C7H10F3NO3/c8-7(9,10)14-5-1-3-11(4-2-5)6(12)13/h5H,1-4H2,(H,12,13)
InChIKeyAHMSLAKQZCKPEJ-UHFFFAOYSA-N
MW213.15 g/mol
LogP1.67
Rot. Bonds1

About 4-(trifluoromethoxy)piperidine-1-carboxylic acid

4-(trifluoromethoxy)piperidine-1-carboxylic acid (PubChem CID 118662288) has the molecular formula C7H10F3NO3 and a molecular weight of 213.15 g/mol. Its IUPAC name is 4-(trifluoromethoxy)piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-(trifluoromethoxy)piperidine-1-carboxylic acid
PubChem CID118662288
Molecular FormulaC7H10F3NO3
Molecular Weight213.15 g/mol
Exact Mass213.06
IUPAC Name4-(trifluoromethoxy)piperidine-1-carboxylic acid
SMILESO=C(O)N1CCC(OC(F)(F)F)CC1
InChIInChI=1S/C7H10F3NO3/c8-7(9,10)14-5-1-3-11(4-2-5)6(12)13/h5H,1-4H2,(H,12,13)
InChIKeyAHMSLAKQZCKPEJ-UHFFFAOYSA-N
XLogP1.67
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.15
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-piperidin-4-yloxypiperidine-1-carboxylic acid
CID 69156881
4-carbonochloridoyloxypiperidine-1-carboxylic acid
CID 146453029
4-(2,2,2-trifluoroacetyl)piperidine-1-carboxylic acid
CID 91321948
(2R)-2-amino-1-[3-(trifluoromethoxy)pyrrolidin-1-yl]propan-1-one;hydrochloride
CID 178127033
quinoxalin-6-yl-[4-(trifluoromethoxy)piperidin-1-yl]methanone
CID 157013388
4-[(2,2,2-trifluoroacetyl)amino]piperidine-1-carboxylic acid
CID 88546058
4-(2-carboxyethoxy)piperidine-1-carboxylic acid
CID 154257989
3-(trifluoromethyl)pyrrolidine-1-carboxylic acid
CID 68960717
piperidine-1,4-dicarboxylic acid
CID 18542445
4-(trifluoromethoxy)cyclohexan-1-ol
CID 137347053
(2R)-2-amino-1-[(2R,4R)-2-methyl-4-(trifluoromethoxy)piperidin-1-yl]propan-1-one
CID 178126862
(3S)-3-[4-(trifluoromethyl)phenoxy]pyrrolidine-1-carboxylic acid
CID 175135309

Frequently Asked Questions

What is the IUPAC name of 4-(trifluoromethoxy)piperidine-1-carboxylic acid?
The IUPAC name of 4-(trifluoromethoxy)piperidine-1-carboxylic acid (CID 118662288) is 4-(trifluoromethoxy)piperidine-1-carboxylic acid.
What is the SMILES notation for 4-(trifluoromethoxy)piperidine-1-carboxylic acid?
The canonical SMILES for 4-(trifluoromethoxy)piperidine-1-carboxylic acid is O=C(O)N1CCC(OC(F)(F)F)CC1.
What is the InChIKey of 4-(trifluoromethoxy)piperidine-1-carboxylic acid?
The InChIKey is AHMSLAKQZCKPEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F3NO3/c8-7(9,10)14-5-1-3-11(4-2-5)6(12)13/h5H,1-4H2,(H,12,13).
What are the key properties of 4-(trifluoromethoxy)piperidine-1-carboxylic acid?
4-(trifluoromethoxy)piperidine-1-carboxylic acid has a molecular weight of 213.15 g/mol, XLogP of 1.67, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(trifluoromethoxy)piperidine-1-carboxylic acid is sourced from PubChem (CID 118662288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).