2-[(2S)-4-(2-cyclopropylacetyl)-2-methylpiperazin-1-yl]ethyl hypofluorite

C12H21FN2O2 — CID 143121344

IUPAC2-[(2S)-4-(2-cyclopropylacetyl)-2-methylpiperazin-1-yl]ethyl hypofluorite
SMILESC[C@H]1CN(C(=O)CC2CC2)CCN1CCOF
InChIInChI=1S/C12H21FN2O2/c1-10-9-15(12(16)8-11-2-3-11)5-4-14(10)6-7-17-13/h10-11H,2-9H2,1H3/t10-/m0/s1
InChIKeyWZQGYCZFZBDEQP-JTQLQIEISA-N
MW244.31 g/mol
LogP1.22
Rot. Bonds5

About 2-[(2S)-4-(2-cyclopropylacetyl)-2-methylpiperazin-1-yl]ethyl hypofluorite

2-[(2S)-4-(2-cyclopropylacetyl)-2-methylpiperazin-1-yl]ethyl hypofluorite (PubChem CID 143121344) has the molecular formula C12H21FN2O2 and a molecular weight of 244.31 g/mol. Its IUPAC name is 2-[(2S)-4-(2-cyclopropylacetyl)-2-methylpiperazin-1-yl]ethyl hypofluorite.

Molecular Properties

Compound Name2-[(2S)-4-(2-cyclopropylacetyl)-2-methylpiperazin-1-yl]ethyl hypofluorite
PubChem CID143121344
Molecular FormulaC12H21FN2O2
Molecular Weight244.31 g/mol
Exact Mass244.16
IUPAC Name2-[(2S)-4-(2-cyclopropylacetyl)-2-methylpiperazin-1-yl]ethyl hypofluorite
SMILESC[C@H]1CN(C(=O)CC2CC2)CCN1CCOF
InChIInChI=1S/C12H21FN2O2/c1-10-9-15(12(16)8-11-2-3-11)5-4-14(10)6-7-17-13/h10-11H,2-9H2,1H3/t10-/m0/s1
InChIKeyWZQGYCZFZBDEQP-JTQLQIEISA-N
XLogP1.22
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.31
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[cyclopropyl(methyl)amino]ethyl]-2-(1-ethoxypiperidin-4-yl)-N-methylacetamide
CID 121582674
2-[3-(2-Cyclopropylacetyl)-3,8-diazabicyclo[3.2.1]octan-8-yl]ethyl hypofluorite
CID 143121271
[2-[4-(2-Cyclopropylacetyl)piperazin-1-yl]-2-methylpropyl] hypofluorite
CID 143121304
Cyclobutyl-[3-[(dimethylamino)methyl]morpholin-4-yl]methanone
CID 71786028
(2-Methylcyclopropyl)-(4-methylpiperazin-1-yl)methanone
CID 42909890
2-Cyclopropyl-1-[4-(2-hydroxyethyl)piperazin-1-yl]ethanone
CID 43419622
2-Cyclopropyl-1-(4-methylpiperazin-1-yl)ethanone
CID 60753386
2-Cyclopropyl-1-[4-(2-methylbutan-2-yl)piperazin-1-yl]ethanone
CID 70906760
N-[2-[acetyl(butan-2-yl)amino]ethyl]-2-cyclopropyl-N-methylacetamide
CID 70906853
1-[4-(Cyclopropanecarbonyl)piperazin-1-yl]pentan-1-one
CID 110346861
2-Cyclopropyl-1-(4-propan-2-ylpiperazin-1-yl)ethanone
CID 124199978
2-Cyclopropyl-1-(4-pentan-2-ylpiperazin-1-yl)ethanone
CID 126759842

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-4-(2-cyclopropylacetyl)-2-methylpiperazin-1-yl]ethyl hypofluorite?
The IUPAC name of 2-[(2S)-4-(2-cyclopropylacetyl)-2-methylpiperazin-1-yl]ethyl hypofluorite (CID 143121344) is 2-[(2S)-4-(2-cyclopropylacetyl)-2-methylpiperazin-1-yl]ethyl hypofluorite.
What is the SMILES notation for 2-[(2S)-4-(2-cyclopropylacetyl)-2-methylpiperazin-1-yl]ethyl hypofluorite?
The canonical SMILES for 2-[(2S)-4-(2-cyclopropylacetyl)-2-methylpiperazin-1-yl]ethyl hypofluorite is C[C@H]1CN(C(=O)CC2CC2)CCN1CCOF.
What is the InChIKey of 2-[(2S)-4-(2-cyclopropylacetyl)-2-methylpiperazin-1-yl]ethyl hypofluorite?
The InChIKey is WZQGYCZFZBDEQP-JTQLQIEISA-N. The full InChI is InChI=1S/C12H21FN2O2/c1-10-9-15(12(16)8-11-2-3-11)5-4-14(10)6-7-17-13/h10-11H,2-9H2,1H3/t10-/m0/s1.
What are the key properties of 2-[(2S)-4-(2-cyclopropylacetyl)-2-methylpiperazin-1-yl]ethyl hypofluorite?
2-[(2S)-4-(2-cyclopropylacetyl)-2-methylpiperazin-1-yl]ethyl hypofluorite has a molecular weight of 244.31 g/mol, XLogP of 1.22, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-4-(2-cyclopropylacetyl)-2-methylpiperazin-1-yl]ethyl hypofluorite is sourced from PubChem (CID 143121344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).