(2R)-2-[4-(2-hydroxyethyl)piperazin-1-yl]-N-(2,2,2-trifluoroethyl)propanamide

C11H20F3N3O2 — CID 95739443

IUPAC(2R)-2-[4-(2-hydroxyethyl)piperazin-1-yl]-N-(2,2,2-trifluoroethyl)propanamide
SMILESC[C@H](C(=O)NCC(F)(F)F)N1CCN(CCO)CC1
InChIInChI=1S/C11H20F3N3O2/c1-9(10(19)15-8-11(12,13)14)17-4-2-16(3-5-17)6-7-18/h9,18H,2-8H2,1H3,(H,15,19)/t9-/m1/s1
InChIKeySTXUCTVGDLTCDJ-SECBINFHSA-N
MW283.29 g/mol
LogP-0.34
Rot. Bonds5

About (2R)-2-[4-(2-hydroxyethyl)piperazin-1-yl]-N-(2,2,2-trifluoroethyl)propanamide

(2R)-2-[4-(2-hydroxyethyl)piperazin-1-yl]-N-(2,2,2-trifluoroethyl)propanamide (PubChem CID 95739443) has the molecular formula C11H20F3N3O2 and a molecular weight of 283.29 g/mol. Its IUPAC name is (2R)-2-[4-(2-hydroxyethyl)piperazin-1-yl]-N-(2,2,2-trifluoroethyl)propanamide.

Molecular Properties

Compound Name(2R)-2-[4-(2-hydroxyethyl)piperazin-1-yl]-N-(2,2,2-trifluoroethyl)propanamide
PubChem CID95739443
Molecular FormulaC11H20F3N3O2
Molecular Weight283.29 g/mol
Exact Mass283.15
IUPAC Name(2R)-2-[4-(2-hydroxyethyl)piperazin-1-yl]-N-(2,2,2-trifluoroethyl)propanamide
SMILESC[C@H](C(=O)NCC(F)(F)F)N1CCN(CCO)CC1
InChIInChI=1S/C11H20F3N3O2/c1-9(10(19)15-8-11(12,13)14)17-4-2-16(3-5-17)6-7-18/h9,18H,2-8H2,1H3,(H,15,19)/t9-/m1/s1
InChIKeySTXUCTVGDLTCDJ-SECBINFHSA-N
XLogP-0.34
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.29
LogP ≤ 5-0.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[4-(2-hydroxyethyl)piperazin-1-yl]-N-(2,2,2-trifluoroethyl)propanamide?
The IUPAC name of (2R)-2-[4-(2-hydroxyethyl)piperazin-1-yl]-N-(2,2,2-trifluoroethyl)propanamide (CID 95739443) is (2R)-2-[4-(2-hydroxyethyl)piperazin-1-yl]-N-(2,2,2-trifluoroethyl)propanamide.
What is the SMILES notation for (2R)-2-[4-(2-hydroxyethyl)piperazin-1-yl]-N-(2,2,2-trifluoroethyl)propanamide?
The canonical SMILES for (2R)-2-[4-(2-hydroxyethyl)piperazin-1-yl]-N-(2,2,2-trifluoroethyl)propanamide is C[C@H](C(=O)NCC(F)(F)F)N1CCN(CCO)CC1.
What is the InChIKey of (2R)-2-[4-(2-hydroxyethyl)piperazin-1-yl]-N-(2,2,2-trifluoroethyl)propanamide?
The InChIKey is STXUCTVGDLTCDJ-SECBINFHSA-N. The full InChI is InChI=1S/C11H20F3N3O2/c1-9(10(19)15-8-11(12,13)14)17-4-2-16(3-5-17)6-7-18/h9,18H,2-8H2,1H3,(H,15,19)/t9-/m1/s1.
What are the key properties of (2R)-2-[4-(2-hydroxyethyl)piperazin-1-yl]-N-(2,2,2-trifluoroethyl)propanamide?
(2R)-2-[4-(2-hydroxyethyl)piperazin-1-yl]-N-(2,2,2-trifluoroethyl)propanamide has a molecular weight of 283.29 g/mol, XLogP of -0.34, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[4-(2-hydroxyethyl)piperazin-1-yl]-N-(2,2,2-trifluoroethyl)propanamide is sourced from PubChem (CID 95739443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).