1-cyclopentyl-5-(2,2,2-trifluoroethylamino)piperidine-3-carboxylic acid

C13H21F3N2O2 — CID 83992445

IUPAC1-cyclopentyl-5-(2,2,2-trifluoroethylamino)piperidine-3-carboxylic acid
SMILESO=C(O)C1CC(NCC(F)(F)F)CN(C2CCCC2)C1
InChIInChI=1S/C13H21F3N2O2/c14-13(15,16)8-17-10-5-9(12(19)20)6-18(7-10)11-3-1-2-4-11/h9-11,17H,1-8H2,(H,19,20)
InChIKeyIFWHRZODVTVARU-UHFFFAOYSA-N
MW294.32 g/mol
LogP1.86
Rot. Bonds4

About 1-cyclopentyl-5-(2,2,2-trifluoroethylamino)piperidine-3-carboxylic acid

1-cyclopentyl-5-(2,2,2-trifluoroethylamino)piperidine-3-carboxylic acid (PubChem CID 83992445) has the molecular formula C13H21F3N2O2 and a molecular weight of 294.32 g/mol. Its IUPAC name is 1-cyclopentyl-5-(2,2,2-trifluoroethylamino)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-cyclopentyl-5-(2,2,2-trifluoroethylamino)piperidine-3-carboxylic acid
PubChem CID83992445
Molecular FormulaC13H21F3N2O2
Molecular Weight294.32 g/mol
Exact Mass294.16
IUPAC Name1-cyclopentyl-5-(2,2,2-trifluoroethylamino)piperidine-3-carboxylic acid
SMILESO=C(O)C1CC(NCC(F)(F)F)CN(C2CCCC2)C1
InChIInChI=1S/C13H21F3N2O2/c14-13(15,16)8-17-10-5-9(12(19)20)6-18(7-10)11-3-1-2-4-11/h9-11,17H,1-8H2,(H,19,20)
InChIKeyIFWHRZODVTVARU-UHFFFAOYSA-N
XLogP1.86
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.32
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclopentyl-5-(cyclopentylmethylamino)piperidine-3-carboxylic acid
CID 83997980
5-(cyclohexylmethylamino)-1-cyclopentylpiperidine-3-carboxylic acid
CID 83998672
2-[1-cyclopropyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]acetic acid
CID 83992463
1-cyclopentyl-5-(cyclopropylmethyl)-N-(2,2,2-trifluoroethyl)piperidin-3-amine
CID 83992444
1-cyclopropyl-5-(ethylamino)piperidine-3-carboxylic acid
CID 83990502
1-propyl-5-(2,2,2-trifluoroethylamino)piperidine-3-carboxylic acid
CID 83992134
1-(cyanomethyl)-5-(2,2,2-trifluoroethylamino)piperidine-3-carboxylic acid
CID 83992653
5-butyl-1-cyclopentyl-N-(2,2,2-trifluoroethyl)piperidin-3-amine
CID 83992442
1-cyclohexyl-N-(2,2,2-trifluoroethyl)piperidin-3-amine
CID 83992476
1-cyclopropyl-5-propyl-N-(2,2,2-trifluoroethyl)piperidin-3-amine
CID 83992454
methyl 1-cyclopentyl-5-(2,2-difluoroethylamino)piperidine-3-carboxylate
CID 83993140
(2R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizine-2-carboxylic acid
CID 98202645

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-5-(2,2,2-trifluoroethylamino)piperidine-3-carboxylic acid?
The IUPAC name of 1-cyclopentyl-5-(2,2,2-trifluoroethylamino)piperidine-3-carboxylic acid (CID 83992445) is 1-cyclopentyl-5-(2,2,2-trifluoroethylamino)piperidine-3-carboxylic acid.
What is the SMILES notation for 1-cyclopentyl-5-(2,2,2-trifluoroethylamino)piperidine-3-carboxylic acid?
The canonical SMILES for 1-cyclopentyl-5-(2,2,2-trifluoroethylamino)piperidine-3-carboxylic acid is O=C(O)C1CC(NCC(F)(F)F)CN(C2CCCC2)C1.
What is the InChIKey of 1-cyclopentyl-5-(2,2,2-trifluoroethylamino)piperidine-3-carboxylic acid?
The InChIKey is IFWHRZODVTVARU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21F3N2O2/c14-13(15,16)8-17-10-5-9(12(19)20)6-18(7-10)11-3-1-2-4-11/h9-11,17H,1-8H2,(H,19,20).
What are the key properties of 1-cyclopentyl-5-(2,2,2-trifluoroethylamino)piperidine-3-carboxylic acid?
1-cyclopentyl-5-(2,2,2-trifluoroethylamino)piperidine-3-carboxylic acid has a molecular weight of 294.32 g/mol, XLogP of 1.86, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-5-(2,2,2-trifluoroethylamino)piperidine-3-carboxylic acid is sourced from PubChem (CID 83992445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).