4-(hydroxymethyl)-N,N-dimethyl-4-(2,2,2-trifluoroethylamino)piperidine-1-carboxamide

C11H20F3N3O2 — CID 83266590

IUPAC4-(hydroxymethyl)-N,N-dimethyl-4-(2,2,2-trifluoroethylamino)piperidine-1-carboxamide
SMILESCN(C)C(=O)N1CCC(CO)(NCC(F)(F)F)CC1
InChIInChI=1S/C11H20F3N3O2/c1-16(2)9(19)17-5-3-10(8-18,4-6-17)15-7-11(12,13)14/h15,18H,3-8H2,1-2H3
InChIKeyGTDQVKYUELNIPV-UHFFFAOYSA-N
MW283.29 g/mol
LogP0.65
Rot. Bonds3

About 4-(hydroxymethyl)-N,N-dimethyl-4-(2,2,2-trifluoroethylamino)piperidine-1-carboxamide

4-(hydroxymethyl)-N,N-dimethyl-4-(2,2,2-trifluoroethylamino)piperidine-1-carboxamide (PubChem CID 83266590) has the molecular formula C11H20F3N3O2 and a molecular weight of 283.29 g/mol. Its IUPAC name is 4-(hydroxymethyl)-N,N-dimethyl-4-(2,2,2-trifluoroethylamino)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-(hydroxymethyl)-N,N-dimethyl-4-(2,2,2-trifluoroethylamino)piperidine-1-carboxamide
PubChem CID83266590
Molecular FormulaC11H20F3N3O2
Molecular Weight283.29 g/mol
Exact Mass283.15
IUPAC Name4-(hydroxymethyl)-N,N-dimethyl-4-(2,2,2-trifluoroethylamino)piperidine-1-carboxamide
SMILESCN(C)C(=O)N1CCC(CO)(NCC(F)(F)F)CC1
InChIInChI=1S/C11H20F3N3O2/c1-16(2)9(19)17-5-3-10(8-18,4-6-17)15-7-11(12,13)14/h15,18H,3-8H2,1-2H3
InChIKeyGTDQVKYUELNIPV-UHFFFAOYSA-N
XLogP0.65
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.29
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(hydroxymethyl)-N,N-dimethyl-4-(2,2,2-trifluoroethylamino)piperidine-1-carboxamide?
The IUPAC name of 4-(hydroxymethyl)-N,N-dimethyl-4-(2,2,2-trifluoroethylamino)piperidine-1-carboxamide (CID 83266590) is 4-(hydroxymethyl)-N,N-dimethyl-4-(2,2,2-trifluoroethylamino)piperidine-1-carboxamide.
What is the SMILES notation for 4-(hydroxymethyl)-N,N-dimethyl-4-(2,2,2-trifluoroethylamino)piperidine-1-carboxamide?
The canonical SMILES for 4-(hydroxymethyl)-N,N-dimethyl-4-(2,2,2-trifluoroethylamino)piperidine-1-carboxamide is CN(C)C(=O)N1CCC(CO)(NCC(F)(F)F)CC1.
What is the InChIKey of 4-(hydroxymethyl)-N,N-dimethyl-4-(2,2,2-trifluoroethylamino)piperidine-1-carboxamide?
The InChIKey is GTDQVKYUELNIPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3N3O2/c1-16(2)9(19)17-5-3-10(8-18,4-6-17)15-7-11(12,13)14/h15,18H,3-8H2,1-2H3.
What are the key properties of 4-(hydroxymethyl)-N,N-dimethyl-4-(2,2,2-trifluoroethylamino)piperidine-1-carboxamide?
4-(hydroxymethyl)-N,N-dimethyl-4-(2,2,2-trifluoroethylamino)piperidine-1-carboxamide has a molecular weight of 283.29 g/mol, XLogP of 0.65, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(hydroxymethyl)-N,N-dimethyl-4-(2,2,2-trifluoroethylamino)piperidine-1-carboxamide is sourced from PubChem (CID 83266590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).