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

C12H16F3NO4 — CID 136562133

IUPAC1-(cyclopropylmethoxycarbonyl)-4-(trifluoromethyl)piperidine-2-carboxylic acid
SMILESO=C(O)C1CC(C(F)(F)F)CCN1C(=O)OCC1CC1
InChIInChI=1S/C12H16F3NO4/c13-12(14,15)8-3-4-16(9(5-8)10(17)18)11(19)20-6-7-1-2-7/h7-9H,1-6H2,(H,17,18)
InChIKeyAUONJWMBQUHMIL-UHFFFAOYSA-N
MW295.26 g/mol
LogP2.26
Rot. Bonds3

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

1-(cyclopropylmethoxycarbonyl)-4-(trifluoromethyl)piperidine-2-carboxylic acid (PubChem CID 136562133) has the molecular formula C12H16F3NO4 and a molecular weight of 295.26 g/mol. Its IUPAC name is 1-(cyclopropylmethoxycarbonyl)-4-(trifluoromethyl)piperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(cyclopropylmethoxycarbonyl)-4-(trifluoromethyl)piperidine-2-carboxylic acid
PubChem CID136562133
Molecular FormulaC12H16F3NO4
Molecular Weight295.26 g/mol
Exact Mass295.10
IUPAC Name1-(cyclopropylmethoxycarbonyl)-4-(trifluoromethyl)piperidine-2-carboxylic acid
SMILESO=C(O)C1CC(C(F)(F)F)CCN1C(=O)OCC1CC1
InChIInChI=1S/C12H16F3NO4/c13-12(14,15)8-3-4-16(9(5-8)10(17)18)11(19)20-6-7-1-2-7/h7-9H,1-6H2,(H,17,18)
InChIKeyAUONJWMBQUHMIL-UHFFFAOYSA-N
XLogP2.26
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.26
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethoxycarbonyl)-4-(trifluoromethyl)piperidine-2-carboxylic acid?
The IUPAC name of 1-(cyclopropylmethoxycarbonyl)-4-(trifluoromethyl)piperidine-2-carboxylic acid (CID 136562133) is 1-(cyclopropylmethoxycarbonyl)-4-(trifluoromethyl)piperidine-2-carboxylic acid.
What is the SMILES notation for 1-(cyclopropylmethoxycarbonyl)-4-(trifluoromethyl)piperidine-2-carboxylic acid?
The canonical SMILES for 1-(cyclopropylmethoxycarbonyl)-4-(trifluoromethyl)piperidine-2-carboxylic acid is O=C(O)C1CC(C(F)(F)F)CCN1C(=O)OCC1CC1.
What is the InChIKey of 1-(cyclopropylmethoxycarbonyl)-4-(trifluoromethyl)piperidine-2-carboxylic acid?
The InChIKey is AUONJWMBQUHMIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3NO4/c13-12(14,15)8-3-4-16(9(5-8)10(17)18)11(19)20-6-7-1-2-7/h7-9H,1-6H2,(H,17,18).
What are the key properties of 1-(cyclopropylmethoxycarbonyl)-4-(trifluoromethyl)piperidine-2-carboxylic acid?
1-(cyclopropylmethoxycarbonyl)-4-(trifluoromethyl)piperidine-2-carboxylic acid has a molecular weight of 295.26 g/mol, XLogP of 2.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethoxycarbonyl)-4-(trifluoromethyl)piperidine-2-carboxylic acid is sourced from PubChem (CID 136562133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).