1-[4-[[(1R)-2,2-difluoro-1-(hydroxymethyl)cyclopropyl]methyl]piperazin-1-yl]ethanone

C11H18F2N2O2 — CID 172588202

IUPAC1-[4-[[(1R)-2,2-difluoro-1-(hydroxymethyl)cyclopropyl]methyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(C[C@@]2(CO)CC2(F)F)CC1
InChIInChI=1S/C11H18F2N2O2/c1-9(17)15-4-2-14(3-5-15)7-10(8-16)6-11(10,12)13/h16H,2-8H2,1H3/t10-/m1/s1
InChIKeyHYHFPHJLVYZYMQ-SNVBAGLBSA-N
MW248.27 g/mol
LogP0.17
Rot. Bonds3

About 1-[4-[[(1R)-2,2-difluoro-1-(hydroxymethyl)cyclopropyl]methyl]piperazin-1-yl]ethanone

1-[4-[[(1R)-2,2-difluoro-1-(hydroxymethyl)cyclopropyl]methyl]piperazin-1-yl]ethanone (PubChem CID 172588202) has the molecular formula C11H18F2N2O2 and a molecular weight of 248.27 g/mol. Its IUPAC name is 1-[4-[[(1R)-2,2-difluoro-1-(hydroxymethyl)cyclopropyl]methyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[[(1R)-2,2-difluoro-1-(hydroxymethyl)cyclopropyl]methyl]piperazin-1-yl]ethanone
PubChem CID172588202
Molecular FormulaC11H18F2N2O2
Molecular Weight248.27 g/mol
Exact Mass248.13
IUPAC Name1-[4-[[(1R)-2,2-difluoro-1-(hydroxymethyl)cyclopropyl]methyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(C[C@@]2(CO)CC2(F)F)CC1
InChIInChI=1S/C11H18F2N2O2/c1-9(17)15-4-2-14(3-5-15)7-10(8-16)6-11(10,12)13/h16H,2-8H2,1H3/t10-/m1/s1
InChIKeyHYHFPHJLVYZYMQ-SNVBAGLBSA-N
XLogP0.17
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.27
LogP ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[4-[[(1R)-2,2-difluoro-1-(hydroxymethyl)cyclopropyl]methyl]piperazin-1-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-Piperidin-1-ylbutan-1-one;[1-(trifluoromethyl)cyclopropyl]methanol
CID 164604670
1-[4-[[(1R)-2,2-difluoro-1-(methoxymethyl)cyclopropyl]methyl]piperazin-1-yl]ethanone
CID 172588282
2,2,2-Trifluoro-1-[4-[[4-[[1-(hydroxymethyl)cyclopropyl]methyl]piperazin-1-yl]methyl]piperidin-1-yl]ethanone
CID 176552438
[2,2-Difluoro-1-[(4-methylpiperazin-1-yl)methyl]cyclopropyl]methanol;ethane
CID 176568586
[1-[[4-(2,2,2-Trifluoroethyl)piperazin-1-yl]methyl]cyclopropyl]methanol
CID 176939437
[2,2-Difluoro-1-[(4-methylpiperazin-1-yl)methyl]cyclopropyl]methanol
CID 176568587
[1-(Hydroxymethyl)cyclopropyl]-(4-methylpiperazin-1-yl)methanone
CID 117564295
1-[4-[1-(Hydroxymethyl)cyclopropanecarbonyl]piperazin-1-yl]ethanone
CID 117564298
Ethane;1-[4-[[1-(hydroxymethyl)cyclopropyl]methyl]piperazin-1-yl]propan-1-one
CID 169258046
Ethane;4-[[1-(hydroxymethyl)cyclopropyl]methyl]-1-methylpiperazin-2-one
CID 170601597
4-[[1-(Hydroxymethyl)cyclopropyl]methyl]-1-methylpiperazin-2-one
CID 170601598
Ethane;1-[4-[[1-(hydroxymethyl)cyclopropyl]methyl]piperazin-1-yl]propan-1-one
CID 171083684

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[(1R)-2,2-difluoro-1-(hydroxymethyl)cyclopropyl]methyl]piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-[[(1R)-2,2-difluoro-1-(hydroxymethyl)cyclopropyl]methyl]piperazin-1-yl]ethanone (CID 172588202) is 1-[4-[[(1R)-2,2-difluoro-1-(hydroxymethyl)cyclopropyl]methyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[[(1R)-2,2-difluoro-1-(hydroxymethyl)cyclopropyl]methyl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-[[(1R)-2,2-difluoro-1-(hydroxymethyl)cyclopropyl]methyl]piperazin-1-yl]ethanone is CC(=O)N1CCN(C[C@@]2(CO)CC2(F)F)CC1.
What is the InChIKey of 1-[4-[[(1R)-2,2-difluoro-1-(hydroxymethyl)cyclopropyl]methyl]piperazin-1-yl]ethanone?
The InChIKey is HYHFPHJLVYZYMQ-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H18F2N2O2/c1-9(17)15-4-2-14(3-5-15)7-10(8-16)6-11(10,12)13/h16H,2-8H2,1H3/t10-/m1/s1.
What are the key properties of 1-[4-[[(1R)-2,2-difluoro-1-(hydroxymethyl)cyclopropyl]methyl]piperazin-1-yl]ethanone?
1-[4-[[(1R)-2,2-difluoro-1-(hydroxymethyl)cyclopropyl]methyl]piperazin-1-yl]ethanone has a molecular weight of 248.27 g/mol, XLogP of 0.17, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[(1R)-2,2-difluoro-1-(hydroxymethyl)cyclopropyl]methyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 172588202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).