(2,3-difluorophenyl)-[(3R)-3-methylpiperazin-1-yl]methanone

C12H14F2N2O — CID 81428714

IUPAC(2,3-difluorophenyl)-[(3R)-3-methylpiperazin-1-yl]methanone
SMILESC[C@@H]1CN(C(=O)c2cccc(F)c2F)CCN1
InChIInChI=1S/C12H14F2N2O/c1-8-7-16(6-5-15-8)12(17)9-3-2-4-10(13)11(9)14/h2-4,8,15H,5-7H2,1H3/t8-/m1/s1
InChIKeyCHZCQTLEXAFKEF-MRVPVSSYSA-N
MW240.25 g/mol
LogP1.40
Rot. Bonds1

About (2,3-difluorophenyl)-[(3R)-3-methylpiperazin-1-yl]methanone

(2,3-difluorophenyl)-[(3R)-3-methylpiperazin-1-yl]methanone (PubChem CID 81428714) has the molecular formula C12H14F2N2O and a molecular weight of 240.25 g/mol. Its IUPAC name is (2,3-difluorophenyl)-[(3R)-3-methylpiperazin-1-yl]methanone.

Molecular Properties

Compound Name(2,3-difluorophenyl)-[(3R)-3-methylpiperazin-1-yl]methanone
PubChem CID81428714
Molecular FormulaC12H14F2N2O
Molecular Weight240.25 g/mol
Exact Mass240.11
IUPAC Name(2,3-difluorophenyl)-[(3R)-3-methylpiperazin-1-yl]methanone
SMILESC[C@@H]1CN(C(=O)c2cccc(F)c2F)CCN1
InChIInChI=1S/C12H14F2N2O/c1-8-7-16(6-5-15-8)12(17)9-3-2-4-10(13)11(9)14/h2-4,8,15H,5-7H2,1H3/t8-/m1/s1
InChIKeyCHZCQTLEXAFKEF-MRVPVSSYSA-N
XLogP1.40
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.25
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2,3-difluorophenyl)-(3,5-dimethylpiperazin-1-yl)methanone
CID 63872512
(2,3-dihydroxyphenyl)-[(3R)-3-methylpiperazin-1-yl]methanone
CID 104894013
(2-chlorophenyl)-[(3R)-3-methylpiperazin-1-yl]methanone
CID 81427998
(2-bromo-6-fluorophenyl)-(3-methylpiperazin-1-yl)methanone
CID 113265714
(3-hydroxy-2-methylphenyl)-(3-methylpiperazin-1-yl)methanone
CID 82829933
(2,3-dichlorophenyl)-(3-methylpiperazin-1-yl)methanone
CID 65449557
(2-iodophenyl)-[(3S)-3-methylpiperazin-1-yl]methanone
CID 81426406
(2,3-difluorophenyl)-(2-methylthiomorpholin-4-yl)methanone
CID 115611669
(2-fluoro-5-methylphenyl)-[(3S)-3-methylpiperazin-1-yl]methanone
CID 81426729
(2-fluorophenyl)-(5-methyl-1,4-diazepan-1-yl)methanone
CID 82243413
(2,5-difluoro-4-methylphenyl)-[(3S)-3-methylpiperazin-1-yl]methanone
CID 124695014
(2-methoxyphenyl)-(3-methylpiperazin-1-yl)methanone
CID 50999804

Frequently Asked Questions

What is the IUPAC name of (2,3-difluorophenyl)-[(3R)-3-methylpiperazin-1-yl]methanone?
The IUPAC name of (2,3-difluorophenyl)-[(3R)-3-methylpiperazin-1-yl]methanone (CID 81428714) is (2,3-difluorophenyl)-[(3R)-3-methylpiperazin-1-yl]methanone.
What is the SMILES notation for (2,3-difluorophenyl)-[(3R)-3-methylpiperazin-1-yl]methanone?
The canonical SMILES for (2,3-difluorophenyl)-[(3R)-3-methylpiperazin-1-yl]methanone is C[C@@H]1CN(C(=O)c2cccc(F)c2F)CCN1.
What is the InChIKey of (2,3-difluorophenyl)-[(3R)-3-methylpiperazin-1-yl]methanone?
The InChIKey is CHZCQTLEXAFKEF-MRVPVSSYSA-N. The full InChI is InChI=1S/C12H14F2N2O/c1-8-7-16(6-5-15-8)12(17)9-3-2-4-10(13)11(9)14/h2-4,8,15H,5-7H2,1H3/t8-/m1/s1.
What are the key properties of (2,3-difluorophenyl)-[(3R)-3-methylpiperazin-1-yl]methanone?
(2,3-difluorophenyl)-[(3R)-3-methylpiperazin-1-yl]methanone has a molecular weight of 240.25 g/mol, XLogP of 1.40, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-difluorophenyl)-[(3R)-3-methylpiperazin-1-yl]methanone is sourced from PubChem (CID 81428714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).