2,2,2-trifluoroethyl 4-(dimethylamino)piperidine-1-carboxylate

C10H17F3N2O2 — CID 65174045

IUPAC2,2,2-trifluoroethyl 4-(dimethylamino)piperidine-1-carboxylate
SMILESCN(C)C1CCN(C(=O)OCC(F)(F)F)CC1
InChIInChI=1S/C10H17F3N2O2/c1-14(2)8-3-5-15(6-4-8)9(16)17-7-10(11,12)13/h8H,3-7H2,1-2H3
InChIKeyPIAHNZXLKFELNN-UHFFFAOYSA-N
MW254.25 g/mol
LogP1.71
Rot. Bonds2

About 2,2,2-trifluoroethyl 4-(dimethylamino)piperidine-1-carboxylate

2,2,2-trifluoroethyl 4-(dimethylamino)piperidine-1-carboxylate (PubChem CID 65174045) has the molecular formula C10H17F3N2O2 and a molecular weight of 254.25 g/mol. Its IUPAC name is 2,2,2-trifluoroethyl 4-(dimethylamino)piperidine-1-carboxylate.

Molecular Properties

Compound Name2,2,2-trifluoroethyl 4-(dimethylamino)piperidine-1-carboxylate
PubChem CID65174045
Molecular FormulaC10H17F3N2O2
Molecular Weight254.25 g/mol
Exact Mass254.12
IUPAC Name2,2,2-trifluoroethyl 4-(dimethylamino)piperidine-1-carboxylate
SMILESCN(C)C1CCN(C(=O)OCC(F)(F)F)CC1
InChIInChI=1S/C10H17F3N2O2/c1-14(2)8-3-5-15(6-4-8)9(16)17-7-10(11,12)13/h8H,3-7H2,1-2H3
InChIKeyPIAHNZXLKFELNN-UHFFFAOYSA-N
XLogP1.71
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.25
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoroethyl 4-(dimethylamino)piperidine-1-carboxylate?
The IUPAC name of 2,2,2-trifluoroethyl 4-(dimethylamino)piperidine-1-carboxylate (CID 65174045) is 2,2,2-trifluoroethyl 4-(dimethylamino)piperidine-1-carboxylate.
What is the SMILES notation for 2,2,2-trifluoroethyl 4-(dimethylamino)piperidine-1-carboxylate?
The canonical SMILES for 2,2,2-trifluoroethyl 4-(dimethylamino)piperidine-1-carboxylate is CN(C)C1CCN(C(=O)OCC(F)(F)F)CC1.
What is the InChIKey of 2,2,2-trifluoroethyl 4-(dimethylamino)piperidine-1-carboxylate?
The InChIKey is PIAHNZXLKFELNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N2O2/c1-14(2)8-3-5-15(6-4-8)9(16)17-7-10(11,12)13/h8H,3-7H2,1-2H3.
What are the key properties of 2,2,2-trifluoroethyl 4-(dimethylamino)piperidine-1-carboxylate?
2,2,2-trifluoroethyl 4-(dimethylamino)piperidine-1-carboxylate has a molecular weight of 254.25 g/mol, XLogP of 1.71, 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 4-(dimethylamino)piperidine-1-carboxylate is sourced from PubChem (CID 65174045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).