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

C14H28F3NO2 — CID 145094765

IUPACethane;1-(1,1,1-trifluoro-2-methylpropan-2-yl)piperidine-4-carboxylic acid
SMILESCC.CC.CC(C)(N1CCC(C(=O)O)CC1)C(F)(F)F
InChIInChI=1S/C10H16F3NO2.2C2H6/c1-9(2,10(11,12)13)14-5-3-7(4-6-14)8(15)16;2*1-2/h7H,3-6H2,1-2H3,(H,15,16);2*1-2H3
InChIKeyMVEQLXWVUALZLG-UHFFFAOYSA-N
MW299.38 g/mol
LogP4.18
Rot. Bonds2

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

ethane;1-(1,1,1-trifluoro-2-methylpropan-2-yl)piperidine-4-carboxylic acid (PubChem CID 145094765) has the molecular formula C14H28F3NO2 and a molecular weight of 299.38 g/mol. Its IUPAC name is ethane;1-(1,1,1-trifluoro-2-methylpropan-2-yl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Nameethane;1-(1,1,1-trifluoro-2-methylpropan-2-yl)piperidine-4-carboxylic acid
PubChem CID145094765
Molecular FormulaC14H28F3NO2
Molecular Weight299.38 g/mol
Exact Mass299.21
IUPAC Nameethane;1-(1,1,1-trifluoro-2-methylpropan-2-yl)piperidine-4-carboxylic acid
SMILESCC.CC.CC(C)(N1CCC(C(=O)O)CC1)C(F)(F)F
InChIInChI=1S/C10H16F3NO2.2C2H6/c1-9(2,10(11,12)13)14-5-3-7(4-6-14)8(15)16;2*1-2/h7H,3-6H2,1-2H3,(H,15,16);2*1-2H3
InChIKeyMVEQLXWVUALZLG-UHFFFAOYSA-N
XLogP4.18
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.38
LogP ≤ 54.18
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 ethane;1-(1,1,1-trifluoro-2-methylpropan-2-yl)piperidine-4-carboxylic acid?
The IUPAC name of ethane;1-(1,1,1-trifluoro-2-methylpropan-2-yl)piperidine-4-carboxylic acid (CID 145094765) is ethane;1-(1,1,1-trifluoro-2-methylpropan-2-yl)piperidine-4-carboxylic acid.
What is the SMILES notation for ethane;1-(1,1,1-trifluoro-2-methylpropan-2-yl)piperidine-4-carboxylic acid?
The canonical SMILES for ethane;1-(1,1,1-trifluoro-2-methylpropan-2-yl)piperidine-4-carboxylic acid is CC.CC.CC(C)(N1CCC(C(=O)O)CC1)C(F)(F)F.
What is the InChIKey of ethane;1-(1,1,1-trifluoro-2-methylpropan-2-yl)piperidine-4-carboxylic acid?
The InChIKey is MVEQLXWVUALZLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3NO2.2C2H6/c1-9(2,10(11,12)13)14-5-3-7(4-6-14)8(15)16;2*1-2/h7H,3-6H2,1-2H3,(H,15,16);2*1-2H3.
What are the key properties of ethane;1-(1,1,1-trifluoro-2-methylpropan-2-yl)piperidine-4-carboxylic acid?
ethane;1-(1,1,1-trifluoro-2-methylpropan-2-yl)piperidine-4-carboxylic acid has a molecular weight of 299.38 g/mol, XLogP of 4.18, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-(1,1,1-trifluoro-2-methylpropan-2-yl)piperidine-4-carboxylic acid is sourced from PubChem (CID 145094765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).