2-[(2,2-difluoro-3-hydroxypropyl)amino]-1-(4-methylpiperazin-1-yl)ethanone

C10H19F2N3O2 — CID 106176651

IUPAC2-[(2,2-difluoro-3-hydroxypropyl)amino]-1-(4-methylpiperazin-1-yl)ethanone
SMILESCN1CCN(C(=O)CNCC(F)(F)CO)CC1
InChIInChI=1S/C10H19F2N3O2/c1-14-2-4-15(5-3-14)9(17)6-13-7-10(11,12)8-16/h13,16H,2-8H2,1H3
InChIKeyZIFUXBCICHAERP-UHFFFAOYSA-N
MW251.28 g/mol
LogP-1.02
Rot. Bonds5

About 2-[(2,2-difluoro-3-hydroxypropyl)amino]-1-(4-methylpiperazin-1-yl)ethanone

2-[(2,2-difluoro-3-hydroxypropyl)amino]-1-(4-methylpiperazin-1-yl)ethanone (PubChem CID 106176651) has the molecular formula C10H19F2N3O2 and a molecular weight of 251.28 g/mol. Its IUPAC name is 2-[(2,2-difluoro-3-hydroxypropyl)amino]-1-(4-methylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-[(2,2-difluoro-3-hydroxypropyl)amino]-1-(4-methylpiperazin-1-yl)ethanone
PubChem CID106176651
Molecular FormulaC10H19F2N3O2
Molecular Weight251.28 g/mol
Exact Mass251.14
IUPAC Name2-[(2,2-difluoro-3-hydroxypropyl)amino]-1-(4-methylpiperazin-1-yl)ethanone
SMILESCN1CCN(C(=O)CNCC(F)(F)CO)CC1
InChIInChI=1S/C10H19F2N3O2/c1-14-2-4-15(5-3-14)9(17)6-13-7-10(11,12)8-16/h13,16H,2-8H2,1H3
InChIKeyZIFUXBCICHAERP-UHFFFAOYSA-N
XLogP-1.02
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.28
LogP ≤ 5-1.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(2-hydroxyethyl)piperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 53531391
Ethanol;2,2,2-trifluoro-1-piperazin-1-ylethanone
CID 156843506
Ethane;ethanol;2,2,2-trifluoro-1-piperazin-1-ylethanone
CID 156843736
1-(3-Methoxypropyl)piperazin-2-one;2,2,2-trifluoroacetic acid
CID 172797562
2-[4-(2,2-difluoro-3-methoxypropyl)-2,6-dimethylpiperazin-1-yl]-N-propan-2-ylacetamide
CID 175626370
2-[4-(3-methoxypropyl)-3-(trifluoromethyl)piperazin-1-yl]-N-propan-2-ylacetamide
CID 175626407
2-[(3S)-4-(3-methoxypropyl)-3-(trifluoromethyl)piperazin-1-yl]-N-propan-2-ylacetamide
CID 175626419
2-[4-(2-hydroxypropyl)piperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 53624433
N-(2-hydroxyethyl)-2-piperazin-1-yl-N-(2,2,2-trifluoroethyl)acetamide
CID 54874894
2-oxo-2-piperazin-1-yl-N-propyl-N-(2,2,2-trifluoroethyl)acetamide
CID 55010099
2-[4-(2-hydroxypropyl)-3-methylpiperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 56802200
N,N-diethyl-2-[3-hydroxypropyl(2,2,2-trifluoroethyl)amino]acetamide
CID 60277935

Frequently Asked Questions

What is the IUPAC name of 2-[(2,2-difluoro-3-hydroxypropyl)amino]-1-(4-methylpiperazin-1-yl)ethanone?
The IUPAC name of 2-[(2,2-difluoro-3-hydroxypropyl)amino]-1-(4-methylpiperazin-1-yl)ethanone (CID 106176651) is 2-[(2,2-difluoro-3-hydroxypropyl)amino]-1-(4-methylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-[(2,2-difluoro-3-hydroxypropyl)amino]-1-(4-methylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-[(2,2-difluoro-3-hydroxypropyl)amino]-1-(4-methylpiperazin-1-yl)ethanone is CN1CCN(C(=O)CNCC(F)(F)CO)CC1.
What is the InChIKey of 2-[(2,2-difluoro-3-hydroxypropyl)amino]-1-(4-methylpiperazin-1-yl)ethanone?
The InChIKey is ZIFUXBCICHAERP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F2N3O2/c1-14-2-4-15(5-3-14)9(17)6-13-7-10(11,12)8-16/h13,16H,2-8H2,1H3.
What are the key properties of 2-[(2,2-difluoro-3-hydroxypropyl)amino]-1-(4-methylpiperazin-1-yl)ethanone?
2-[(2,2-difluoro-3-hydroxypropyl)amino]-1-(4-methylpiperazin-1-yl)ethanone has a molecular weight of 251.28 g/mol, XLogP of -1.02, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,2-difluoro-3-hydroxypropyl)amino]-1-(4-methylpiperazin-1-yl)ethanone is sourced from PubChem (CID 106176651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).