N-(2-hydroxyethyl)-3-methyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide

C11H19F3N2O2 — CID 63131688

IUPACN-(2-hydroxyethyl)-3-methyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
SMILESCC1(C(=O)N(CCO)CC(F)(F)F)CCCNC1
InChIInChI=1S/C11H19F3N2O2/c1-10(3-2-4-15-7-10)9(18)16(5-6-17)8-11(12,13)14/h15,17H,2-8H2,1H3
InChIKeyYMPNLAWZTSHNOL-UHFFFAOYSA-N
MW268.28 g/mol
LogP0.76
Rot. Bonds4

About N-(2-hydroxyethyl)-3-methyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide

N-(2-hydroxyethyl)-3-methyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide (PubChem CID 63131688) has the molecular formula C11H19F3N2O2 and a molecular weight of 268.28 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-3-methyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-3-methyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
PubChem CID63131688
Molecular FormulaC11H19F3N2O2
Molecular Weight268.28 g/mol
Exact Mass268.14
IUPAC NameN-(2-hydroxyethyl)-3-methyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
SMILESCC1(C(=O)N(CCO)CC(F)(F)F)CCCNC1
InChIInChI=1S/C11H19F3N2O2/c1-10(3-2-4-15-7-10)9(18)16(5-6-17)8-11(12,13)14/h15,17H,2-8H2,1H3
InChIKeyYMPNLAWZTSHNOL-UHFFFAOYSA-N
XLogP0.76
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.28
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-3-methyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
The IUPAC name of N-(2-hydroxyethyl)-3-methyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide (CID 63131688) is N-(2-hydroxyethyl)-3-methyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide.
What is the SMILES notation for N-(2-hydroxyethyl)-3-methyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
The canonical SMILES for N-(2-hydroxyethyl)-3-methyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide is CC1(C(=O)N(CCO)CC(F)(F)F)CCCNC1.
What is the InChIKey of N-(2-hydroxyethyl)-3-methyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
The InChIKey is YMPNLAWZTSHNOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N2O2/c1-10(3-2-4-15-7-10)9(18)16(5-6-17)8-11(12,13)14/h15,17H,2-8H2,1H3.
What are the key properties of N-(2-hydroxyethyl)-3-methyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
N-(2-hydroxyethyl)-3-methyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide has a molecular weight of 268.28 g/mol, XLogP of 0.76, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-3-methyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide is sourced from PubChem (CID 63131688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).