N-(2,2-difluoro-3-hydroxypropyl)-2-piperazin-1-ylacetamide

C9H17F2N3O2 — CID 106176935

IUPACN-(2,2-difluoro-3-hydroxypropyl)-2-piperazin-1-ylacetamide
SMILESO=C(CN1CCNCC1)NCC(F)(F)CO
InChIInChI=1S/C9H17F2N3O2/c10-9(11,7-15)6-13-8(16)5-14-3-1-12-2-4-14/h12,15H,1-7H2,(H,13,16)
InChIKeyAVUJVHHNANQJEU-UHFFFAOYSA-N
MW237.25 g/mol
LogP-1.36
Rot. Bonds5

About N-(2,2-difluoro-3-hydroxypropyl)-2-piperazin-1-ylacetamide

N-(2,2-difluoro-3-hydroxypropyl)-2-piperazin-1-ylacetamide (PubChem CID 106176935) has the molecular formula C9H17F2N3O2 and a molecular weight of 237.25 g/mol. Its IUPAC name is N-(2,2-difluoro-3-hydroxypropyl)-2-piperazin-1-ylacetamide.

Molecular Properties

Compound NameN-(2,2-difluoro-3-hydroxypropyl)-2-piperazin-1-ylacetamide
PubChem CID106176935
Molecular FormulaC9H17F2N3O2
Molecular Weight237.25 g/mol
Exact Mass237.13
IUPAC NameN-(2,2-difluoro-3-hydroxypropyl)-2-piperazin-1-ylacetamide
SMILESO=C(CN1CCNCC1)NCC(F)(F)CO
InChIInChI=1S/C9H17F2N3O2/c10-9(11,7-15)6-13-8(16)5-14-3-1-12-2-4-14/h12,15H,1-7H2,(H,13,16)
InChIKeyAVUJVHHNANQJEU-UHFFFAOYSA-N
XLogP-1.36
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.25
LogP ≤ 5-1.36
H-Bond Donors ≤ 53
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
2,2,2-Trifluoro-1-[2-(hydroxymethyl)piperazin-1-yl]ethanone
CID 59815604
2,2,2-Trifluoro-N-{2-[4-(2-hydroxyethyl)piperazin-1-yl]ethyl}acetamide
CID 71411634
Ethanol;2,2,2-trifluoro-1-piperazin-1-ylethanone
CID 156843506
Ethane;ethanol;2,2,2-trifluoro-1-piperazin-1-ylethanone
CID 156843736
2,2,2-trifluoro-1-[(3S)-3-(2-hydroxyethyl)piperazin-1-yl]ethanone
CID 166752840
2,2,2-trifluoro-1-[(2R)-2-(hydroxymethyl)piperazin-1-yl]ethanone
CID 166752845
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
3-[4-[2-Oxo-2-(2,2,2-trifluoroethylamino)ethyl]piperazin-1-yl]propanoic acid
CID 43522396

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoro-3-hydroxypropyl)-2-piperazin-1-ylacetamide?
The IUPAC name of N-(2,2-difluoro-3-hydroxypropyl)-2-piperazin-1-ylacetamide (CID 106176935) is N-(2,2-difluoro-3-hydroxypropyl)-2-piperazin-1-ylacetamide.
What is the SMILES notation for N-(2,2-difluoro-3-hydroxypropyl)-2-piperazin-1-ylacetamide?
The canonical SMILES for N-(2,2-difluoro-3-hydroxypropyl)-2-piperazin-1-ylacetamide is O=C(CN1CCNCC1)NCC(F)(F)CO.
What is the InChIKey of N-(2,2-difluoro-3-hydroxypropyl)-2-piperazin-1-ylacetamide?
The InChIKey is AVUJVHHNANQJEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F2N3O2/c10-9(11,7-15)6-13-8(16)5-14-3-1-12-2-4-14/h12,15H,1-7H2,(H,13,16).
What are the key properties of N-(2,2-difluoro-3-hydroxypropyl)-2-piperazin-1-ylacetamide?
N-(2,2-difluoro-3-hydroxypropyl)-2-piperazin-1-ylacetamide has a molecular weight of 237.25 g/mol, XLogP of -1.36, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoro-3-hydroxypropyl)-2-piperazin-1-ylacetamide is sourced from PubChem (CID 106176935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).