1-(1,1,1-trifluoro-2-methylpropan-2-yl)piperidine-4-carboxylic acid

C10H16F3NO2 — CID 121389485

IUPAC1-(1,1,1-trifluoro-2-methylpropan-2-yl)piperidine-4-carboxylic acid
SMILESCC(C)(N1CCC(C(=O)O)CC1)C(F)(F)F
InChIInChI=1S/C10H16F3NO2/c1-9(2,10(11,12)13)14-5-3-7(4-6-14)8(15)16/h7H,3-6H2,1-2H3,(H,15,16)
InChIKeyYBIUMSHIUINYBC-UHFFFAOYSA-N
MW239.24 g/mol
LogP2.12
Rot. Bonds2

About 1-(1,1,1-trifluoro-2-methylpropan-2-yl)piperidine-4-carboxylic acid

1-(1,1,1-trifluoro-2-methylpropan-2-yl)piperidine-4-carboxylic acid (PubChem CID 121389485) has the molecular formula C10H16F3NO2 and a molecular weight of 239.24 g/mol. Its IUPAC name is 1-(1,1,1-trifluoro-2-methylpropan-2-yl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(1,1,1-trifluoro-2-methylpropan-2-yl)piperidine-4-carboxylic acid
PubChem CID121389485
Molecular FormulaC10H16F3NO2
Molecular Weight239.24 g/mol
Exact Mass239.11
IUPAC Name1-(1,1,1-trifluoro-2-methylpropan-2-yl)piperidine-4-carboxylic acid
SMILESCC(C)(N1CCC(C(=O)O)CC1)C(F)(F)F
InChIInChI=1S/C10H16F3NO2/c1-9(2,10(11,12)13)14-5-3-7(4-6-14)8(15)16/h7H,3-6H2,1-2H3,(H,15,16)
InChIKeyYBIUMSHIUINYBC-UHFFFAOYSA-N
XLogP2.12
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.24
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-Methylpiperidine-4-carboxylic acid
CID 2736939
1-Isopropylpiperidine-4-Carboxylic Acid
CID 6484187
1-Propylpiperidine-4-carboxylic acid hydrochloride
CID 43810467
1-Ethylpiperidine-4-carboxylic acid hydrochloride
CID 45075030
1-(Propan-2-yl)piperidine-4-carboxylic acid hydrochloride
CID 45075031
1-(2,2-Difluoroethyl)piperidine-4-carboxylic acid hydrochloride
CID 91647610
1-(2,2,2-Trifluoroethyl)piperidine-4-carboxylic acid hydrochloride
CID 91663079
4-Fluoro-1-methylpiperidine-4-carboxylic acid hydrochloride
CID 91667882
1-(2-Fluoroethyl)piperidine-4-carboxylic acid hydrochloride
CID 165997509
4-Carboxy-1,1-Dimethylpiperidin-1-Ium
CID 71385008
1-Ethylpiperidine-4-carboxylic acid
CID 18783773
1-(2,2,2-Trifluoroacetyl)piperidine-4-carboxylic acid
CID 4552138

Frequently Asked Questions

What is the IUPAC name of 1-(1,1,1-trifluoro-2-methylpropan-2-yl)piperidine-4-carboxylic acid?
The IUPAC name of 1-(1,1,1-trifluoro-2-methylpropan-2-yl)piperidine-4-carboxylic acid (CID 121389485) is 1-(1,1,1-trifluoro-2-methylpropan-2-yl)piperidine-4-carboxylic acid.
What is the SMILES notation for 1-(1,1,1-trifluoro-2-methylpropan-2-yl)piperidine-4-carboxylic acid?
The canonical SMILES for 1-(1,1,1-trifluoro-2-methylpropan-2-yl)piperidine-4-carboxylic acid is CC(C)(N1CCC(C(=O)O)CC1)C(F)(F)F.
What is the InChIKey of 1-(1,1,1-trifluoro-2-methylpropan-2-yl)piperidine-4-carboxylic acid?
The InChIKey is YBIUMSHIUINYBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3NO2/c1-9(2,10(11,12)13)14-5-3-7(4-6-14)8(15)16/h7H,3-6H2,1-2H3,(H,15,16).
What are the key properties of 1-(1,1,1-trifluoro-2-methylpropan-2-yl)piperidine-4-carboxylic acid?
1-(1,1,1-trifluoro-2-methylpropan-2-yl)piperidine-4-carboxylic acid has a molecular weight of 239.24 g/mol, XLogP of 2.12, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1,1-trifluoro-2-methylpropan-2-yl)piperidine-4-carboxylic acid is sourced from PubChem (CID 121389485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).