4-ethyl-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide

C12H21F3N2O2 — CID 63128889

IUPAC4-ethyl-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
SMILESCCC1(C(=O)N(CCO)CC(F)(F)F)CCNCC1
InChIInChI=1S/C12H21F3N2O2/c1-2-11(3-5-16-6-4-11)10(19)17(7-8-18)9-12(13,14)15/h16,18H,2-9H2,1H3
InChIKeyRLVCDSFGNFGTCQ-UHFFFAOYSA-N
MW282.31 g/mol
LogP1.15
Rot. Bonds5

About 4-ethyl-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide

4-ethyl-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide (PubChem CID 63128889) has the molecular formula C12H21F3N2O2 and a molecular weight of 282.31 g/mol. Its IUPAC name is 4-ethyl-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name4-ethyl-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
PubChem CID63128889
Molecular FormulaC12H21F3N2O2
Molecular Weight282.31 g/mol
Exact Mass282.16
IUPAC Name4-ethyl-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
SMILESCCC1(C(=O)N(CCO)CC(F)(F)F)CCNCC1
InChIInChI=1S/C12H21F3N2O2/c1-2-11(3-5-16-6-4-11)10(19)17(7-8-18)9-12(13,14)15/h16,18H,2-9H2,1H3
InChIKeyRLVCDSFGNFGTCQ-UHFFFAOYSA-N
XLogP1.15
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.31
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide?
The IUPAC name of 4-ethyl-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide (CID 63128889) is 4-ethyl-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide.
What is the SMILES notation for 4-ethyl-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide?
The canonical SMILES for 4-ethyl-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide is CCC1(C(=O)N(CCO)CC(F)(F)F)CCNCC1.
What is the InChIKey of 4-ethyl-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide?
The InChIKey is RLVCDSFGNFGTCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F3N2O2/c1-2-11(3-5-16-6-4-11)10(19)17(7-8-18)9-12(13,14)15/h16,18H,2-9H2,1H3.
What are the key properties of 4-ethyl-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide?
4-ethyl-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide has a molecular weight of 282.31 g/mol, XLogP of 1.15, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide is sourced from PubChem (CID 63128889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).