methyl 1-propyl-4-(2,2,2-trifluoroethylamino)piperidine-4-carboxylate

C12H21F3N2O2 — CID 54893179

IUPACmethyl 1-propyl-4-(2,2,2-trifluoroethylamino)piperidine-4-carboxylate
SMILESCCCN1CCC(NCC(F)(F)F)(C(=O)OC)CC1
InChIInChI=1S/C12H21F3N2O2/c1-3-6-17-7-4-11(5-8-17,10(18)19-2)16-9-12(13,14)15/h16H,3-9H2,1-2H3
InChIKeyNTZGQNJSSINAQC-UHFFFAOYSA-N
MW282.31 g/mol
LogP1.56
Rot. Bonds5

About methyl 1-propyl-4-(2,2,2-trifluoroethylamino)piperidine-4-carboxylate

methyl 1-propyl-4-(2,2,2-trifluoroethylamino)piperidine-4-carboxylate (PubChem CID 54893179) has the molecular formula C12H21F3N2O2 and a molecular weight of 282.31 g/mol. Its IUPAC name is methyl 1-propyl-4-(2,2,2-trifluoroethylamino)piperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-propyl-4-(2,2,2-trifluoroethylamino)piperidine-4-carboxylate
PubChem CID54893179
Molecular FormulaC12H21F3N2O2
Molecular Weight282.31 g/mol
Exact Mass282.16
IUPAC Namemethyl 1-propyl-4-(2,2,2-trifluoroethylamino)piperidine-4-carboxylate
SMILESCCCN1CCC(NCC(F)(F)F)(C(=O)OC)CC1
InChIInChI=1S/C12H21F3N2O2/c1-3-6-17-7-4-11(5-8-17,10(18)19-2)16-9-12(13,14)15/h16H,3-9H2,1-2H3
InChIKeyNTZGQNJSSINAQC-UHFFFAOYSA-N
XLogP1.56
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.31
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 1-propyl-4-(2,2,2-trifluoroethylamino)piperidine-4-carboxylate?
The IUPAC name of methyl 1-propyl-4-(2,2,2-trifluoroethylamino)piperidine-4-carboxylate (CID 54893179) is methyl 1-propyl-4-(2,2,2-trifluoroethylamino)piperidine-4-carboxylate.
What is the SMILES notation for methyl 1-propyl-4-(2,2,2-trifluoroethylamino)piperidine-4-carboxylate?
The canonical SMILES for methyl 1-propyl-4-(2,2,2-trifluoroethylamino)piperidine-4-carboxylate is CCCN1CCC(NCC(F)(F)F)(C(=O)OC)CC1.
What is the InChIKey of methyl 1-propyl-4-(2,2,2-trifluoroethylamino)piperidine-4-carboxylate?
The InChIKey is NTZGQNJSSINAQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F3N2O2/c1-3-6-17-7-4-11(5-8-17,10(18)19-2)16-9-12(13,14)15/h16H,3-9H2,1-2H3.
What are the key properties of methyl 1-propyl-4-(2,2,2-trifluoroethylamino)piperidine-4-carboxylate?
methyl 1-propyl-4-(2,2,2-trifluoroethylamino)piperidine-4-carboxylate has a molecular weight of 282.31 g/mol, XLogP of 1.56, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-propyl-4-(2,2,2-trifluoroethylamino)piperidine-4-carboxylate is sourced from PubChem (CID 54893179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).