1-methyl-2-(trifluoromethyl)piperidine-4-carboxylic acid

C8H12F3NO2 — CID 83916793

IUPAC1-methyl-2-(trifluoromethyl)piperidine-4-carboxylic acid
SMILESCN1CCC(C(=O)O)CC1C(F)(F)F
InChIInChI=1S/C8H12F3NO2/c1-12-3-2-5(7(13)14)4-6(12)8(9,10)11/h5-6H,2-4H2,1H3,(H,13,14)
InChIKeyRIQXKMSSLUWYFM-UHFFFAOYSA-N
MW211.18 g/mol
LogP1.34
Rot. Bonds1

About 1-methyl-2-(trifluoromethyl)piperidine-4-carboxylic acid

1-methyl-2-(trifluoromethyl)piperidine-4-carboxylic acid (PubChem CID 83916793) has the molecular formula C8H12F3NO2 and a molecular weight of 211.18 g/mol. Its IUPAC name is 1-methyl-2-(trifluoromethyl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-methyl-2-(trifluoromethyl)piperidine-4-carboxylic acid
PubChem CID83916793
Molecular FormulaC8H12F3NO2
Molecular Weight211.18 g/mol
Exact Mass211.08
IUPAC Name1-methyl-2-(trifluoromethyl)piperidine-4-carboxylic acid
SMILESCN1CCC(C(=O)O)CC1C(F)(F)F
InChIInChI=1S/C8H12F3NO2/c1-12-3-2-5(7(13)14)4-6(12)8(9,10)11/h5-6H,2-4H2,1H3,(H,13,14)
InChIKeyRIQXKMSSLUWYFM-UHFFFAOYSA-N
XLogP1.34
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.18
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,2-Difluoroethyl)piperidine-4-carboxylic acid hydrochloride
CID 91647610
1-(2,2,2-Trifluoroethyl)piperidine-4-carboxylic acid hydrochloride
CID 91663079
1,2-Dimethylpiperidine-4-carboxylic acid hydrochloride
CID 155895625
1-(Tert-butoxycarbonyl)-2-(trifluoromethyl)piperidine-4-carboxylic acid
CID 170910082
1-Carboxy-methylisonipecotic acid
CID 22327176
Acetic acid, 1-butyl-3-piperidyl ester
CID 144400
2-(1-Methylpiperidin-3-yl)acetic acid
CID 10511128
1-(2,2,2-Trifluoroethyl)piperidine-4-carboxylic acid
CID 19622790
1-(2,2-Difluoro-4-methylpentanoyl)piperidine-4-carboxylic acid
CID 57700500
1-(3,3,3-Trifluoropropyl)piperidine-4-carboxylic acid
CID 59333911
Dimethyl 2-(difluoromethyl)piperidine-1,4-dicarboxylate
CID 59536558
2-(Difluoromethyl)-1-(methoxycarbonyl)piperidine-4-carboxylic acid
CID 59536568

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-(trifluoromethyl)piperidine-4-carboxylic acid?
The IUPAC name of 1-methyl-2-(trifluoromethyl)piperidine-4-carboxylic acid (CID 83916793) is 1-methyl-2-(trifluoromethyl)piperidine-4-carboxylic acid.
What is the SMILES notation for 1-methyl-2-(trifluoromethyl)piperidine-4-carboxylic acid?
The canonical SMILES for 1-methyl-2-(trifluoromethyl)piperidine-4-carboxylic acid is CN1CCC(C(=O)O)CC1C(F)(F)F.
What is the InChIKey of 1-methyl-2-(trifluoromethyl)piperidine-4-carboxylic acid?
The InChIKey is RIQXKMSSLUWYFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3NO2/c1-12-3-2-5(7(13)14)4-6(12)8(9,10)11/h5-6H,2-4H2,1H3,(H,13,14).
What are the key properties of 1-methyl-2-(trifluoromethyl)piperidine-4-carboxylic acid?
1-methyl-2-(trifluoromethyl)piperidine-4-carboxylic acid has a molecular weight of 211.18 g/mol, XLogP of 1.34, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-(trifluoromethyl)piperidine-4-carboxylic acid is sourced from PubChem (CID 83916793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).