2,2,2-trifluoroethyl 3-piperidin-1-ylpyrrolidine-1-carboxylate

C12H19F3N2O2 — CID 63719362

IUPAC2,2,2-trifluoroethyl 3-piperidin-1-ylpyrrolidine-1-carboxylate
SMILESO=C(OCC(F)(F)F)N1CCC(N2CCCCC2)C1
InChIInChI=1S/C12H19F3N2O2/c13-12(14,15)9-19-11(18)17-7-4-10(8-17)16-5-2-1-3-6-16/h10H,1-9H2
InChIKeyYLBZNAUGNUHXFB-UHFFFAOYSA-N
MW280.29 g/mol
LogP2.25
Rot. Bonds2

About 2,2,2-trifluoroethyl 3-piperidin-1-ylpyrrolidine-1-carboxylate

2,2,2-trifluoroethyl 3-piperidin-1-ylpyrrolidine-1-carboxylate (PubChem CID 63719362) has the molecular formula C12H19F3N2O2 and a molecular weight of 280.29 g/mol. Its IUPAC name is 2,2,2-trifluoroethyl 3-piperidin-1-ylpyrrolidine-1-carboxylate.

Molecular Properties

Compound Name2,2,2-trifluoroethyl 3-piperidin-1-ylpyrrolidine-1-carboxylate
PubChem CID63719362
Molecular FormulaC12H19F3N2O2
Molecular Weight280.29 g/mol
Exact Mass280.14
IUPAC Name2,2,2-trifluoroethyl 3-piperidin-1-ylpyrrolidine-1-carboxylate
SMILESO=C(OCC(F)(F)F)N1CCC(N2CCCCC2)C1
InChIInChI=1S/C12H19F3N2O2/c13-12(14,15)9-19-11(18)17-7-4-10(8-17)16-5-2-1-3-6-16/h10H,1-9H2
InChIKeyYLBZNAUGNUHXFB-UHFFFAOYSA-N
XLogP2.25
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.29
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,2,2-trifluoroethyl 3-methylpyrrolidine-1-carboxylate
CID 62734498
3-O-methyl 1-O-(2,2,2-trifluoroethyl) piperidine-1,3-dicarboxylate
CID 78924639
2,2,2-trifluoroethyl 3-methylpiperidine-1-carboxylate
CID 65173275
2-amino-1-(3-piperidin-1-ylpyrrolidin-1-yl)ethanone;dihydrochloride
CID 119877838
2-[1-(2,2,2-trifluoroethoxycarbonyl)piperidin-3-yl]acetic acid
CID 62691289
3-amino-2,2-dimethyl-1-(3-piperidin-1-ylpyrrolidin-1-yl)propan-1-one
CID 63168632
2-amino-3,3,3-trifluoro-2-methyl-1-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propan-1-one
CID 79810894
3-amino-3-methyl-1-(3-piperidin-1-ylpyrrolidin-1-yl)butan-1-one
CID 64678059
ethyl 3-[4-[carbamoyl(cyclohexyl)amino]piperidin-1-yl]pyrrolidine-1-carboxylate
CID 143591983
(3R)-3-pyrrolidin-1-ylpyrrolidine-1-carboxylic acid
CID 68628166
2-[1-(2,2,2-trifluoroethoxycarbonyl)piperidin-4-yl]acetic acid
CID 79609155
ethyl 4-piperidin-1-ylazepane-1-carboxylate
CID 123362818

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoroethyl 3-piperidin-1-ylpyrrolidine-1-carboxylate?
The IUPAC name of 2,2,2-trifluoroethyl 3-piperidin-1-ylpyrrolidine-1-carboxylate (CID 63719362) is 2,2,2-trifluoroethyl 3-piperidin-1-ylpyrrolidine-1-carboxylate.
What is the SMILES notation for 2,2,2-trifluoroethyl 3-piperidin-1-ylpyrrolidine-1-carboxylate?
The canonical SMILES for 2,2,2-trifluoroethyl 3-piperidin-1-ylpyrrolidine-1-carboxylate is O=C(OCC(F)(F)F)N1CCC(N2CCCCC2)C1.
What is the InChIKey of 2,2,2-trifluoroethyl 3-piperidin-1-ylpyrrolidine-1-carboxylate?
The InChIKey is YLBZNAUGNUHXFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F3N2O2/c13-12(14,15)9-19-11(18)17-7-4-10(8-17)16-5-2-1-3-6-16/h10H,1-9H2.
What are the key properties of 2,2,2-trifluoroethyl 3-piperidin-1-ylpyrrolidine-1-carboxylate?
2,2,2-trifluoroethyl 3-piperidin-1-ylpyrrolidine-1-carboxylate has a molecular weight of 280.29 g/mol, XLogP of 2.25, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoroethyl 3-piperidin-1-ylpyrrolidine-1-carboxylate is sourced from PubChem (CID 63719362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).