N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-piperazin-1-ylpropanamide

C11H21F2N3O2 — CID 107481590

IUPACN-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-piperazin-1-ylpropanamide
SMILESCC(C(=O)N(CCO)CC(F)F)N1CCNCC1
InChIInChI=1S/C11H21F2N3O2/c1-9(15-4-2-14-3-5-15)11(18)16(6-7-17)8-10(12)13/h9-10,14,17H,2-8H2,1H3
InChIKeyAJSBOMUISGYHAI-UHFFFAOYSA-N
MW265.30 g/mol
LogP-0.63
Rot. Bonds6

About N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-piperazin-1-ylpropanamide

N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-piperazin-1-ylpropanamide (PubChem CID 107481590) has the molecular formula C11H21F2N3O2 and a molecular weight of 265.30 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-piperazin-1-ylpropanamide.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-piperazin-1-ylpropanamide
PubChem CID107481590
Molecular FormulaC11H21F2N3O2
Molecular Weight265.30 g/mol
Exact Mass265.16
IUPAC NameN-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-piperazin-1-ylpropanamide
SMILESCC(C(=O)N(CCO)CC(F)F)N1CCNCC1
InChIInChI=1S/C11H21F2N3O2/c1-9(15-4-2-14-3-5-15)11(18)16(6-7-17)8-10(12)13/h9-10,14,17H,2-8H2,1H3
InChIKeyAJSBOMUISGYHAI-UHFFFAOYSA-N
XLogP-0.63
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.30
LogP ≤ 5-0.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-piperazin-1-ylpropanamide?
The IUPAC name of N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-piperazin-1-ylpropanamide (CID 107481590) is N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-piperazin-1-ylpropanamide.
What is the SMILES notation for N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-piperazin-1-ylpropanamide?
The canonical SMILES for N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-piperazin-1-ylpropanamide is CC(C(=O)N(CCO)CC(F)F)N1CCNCC1.
What is the InChIKey of N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-piperazin-1-ylpropanamide?
The InChIKey is AJSBOMUISGYHAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F2N3O2/c1-9(15-4-2-14-3-5-15)11(18)16(6-7-17)8-10(12)13/h9-10,14,17H,2-8H2,1H3.
What are the key properties of N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-piperazin-1-ylpropanamide?
N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-piperazin-1-ylpropanamide has a molecular weight of 265.30 g/mol, XLogP of -0.63, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-piperazin-1-ylpropanamide is sourced from PubChem (CID 107481590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).