(2,5-difluorophenyl)-[(2S)-2-methylpiperazin-1-yl]methanone

C12H14F2N2O — CID 82705670

IUPAC(2,5-difluorophenyl)-[(2S)-2-methylpiperazin-1-yl]methanone
SMILESC[C@H]1CNCCN1C(=O)c1cc(F)ccc1F
InChIInChI=1S/C12H14F2N2O/c1-8-7-15-4-5-16(8)12(17)10-6-9(13)2-3-11(10)14/h2-3,6,8,15H,4-5,7H2,1H3/t8-/m0/s1
InChIKeyAMJOERQHFXOVMY-QMMMGPOBSA-N
MW240.25 g/mol
LogP1.40
Rot. Bonds1

About (2,5-difluorophenyl)-[(2S)-2-methylpiperazin-1-yl]methanone

(2,5-difluorophenyl)-[(2S)-2-methylpiperazin-1-yl]methanone (PubChem CID 82705670) has the molecular formula C12H14F2N2O and a molecular weight of 240.25 g/mol. Its IUPAC name is (2,5-difluorophenyl)-[(2S)-2-methylpiperazin-1-yl]methanone.

Molecular Properties

Compound Name(2,5-difluorophenyl)-[(2S)-2-methylpiperazin-1-yl]methanone
PubChem CID82705670
Molecular FormulaC12H14F2N2O
Molecular Weight240.25 g/mol
Exact Mass240.11
IUPAC Name(2,5-difluorophenyl)-[(2S)-2-methylpiperazin-1-yl]methanone
SMILESC[C@H]1CNCCN1C(=O)c1cc(F)ccc1F
InChIInChI=1S/C12H14F2N2O/c1-8-7-15-4-5-16(8)12(17)10-6-9(13)2-3-11(10)14/h2-3,6,8,15H,4-5,7H2,1H3/t8-/m0/s1
InChIKeyAMJOERQHFXOVMY-QMMMGPOBSA-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

(5-chloro-2-fluorophenyl)-(2-methylpiperazin-1-yl)methanone;hydrochloride
CID 119472374
(5-fluoro-2-methylphenyl)-(2-methylpiperazin-1-yl)methanone
CID 63047401
(2-fluoro-4-methylphenyl)-(2-methylpiperazin-1-yl)methanone;hydrochloride
CID 119472703
(4-bromo-2-fluorophenyl)-[(2R)-2-methylpiperazin-1-yl]methanone
CID 82705543
(3-fluorophenyl)-(2-methylpiperazin-1-yl)methanone
CID 62672072
(2,4-dichlorophenyl)-(2-methylpiperazin-1-yl)methanone
CID 62672241
[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-(2-methylpiperazin-1-yl)methanone;hydrochloride
CID 119472333
(3-fluorophenyl)-[(2S)-2-methylpiperazin-1-yl]methanone;hydrochloride
CID 68757495
(2-fluorophenyl)-(2-methyl-1,4-diazepan-1-yl)methanone
CID 82243404
(4-fluoro-3-methoxyphenyl)-[(2R)-2-methylpiperazin-1-yl]methanone
CID 82756256
(2R)-N-(2,4-difluorophenyl)-2-methylpiperazine-1-carboxamide
CID 82755862
(2-fluoro-4-nitrophenyl)-(2-methylpiperazin-1-yl)methanone;hydrochloride
CID 119472828

Frequently Asked Questions

What is the IUPAC name of (2,5-difluorophenyl)-[(2S)-2-methylpiperazin-1-yl]methanone?
The IUPAC name of (2,5-difluorophenyl)-[(2S)-2-methylpiperazin-1-yl]methanone (CID 82705670) is (2,5-difluorophenyl)-[(2S)-2-methylpiperazin-1-yl]methanone.
What is the SMILES notation for (2,5-difluorophenyl)-[(2S)-2-methylpiperazin-1-yl]methanone?
The canonical SMILES for (2,5-difluorophenyl)-[(2S)-2-methylpiperazin-1-yl]methanone is C[C@H]1CNCCN1C(=O)c1cc(F)ccc1F.
What is the InChIKey of (2,5-difluorophenyl)-[(2S)-2-methylpiperazin-1-yl]methanone?
The InChIKey is AMJOERQHFXOVMY-QMMMGPOBSA-N. The full InChI is InChI=1S/C12H14F2N2O/c1-8-7-15-4-5-16(8)12(17)10-6-9(13)2-3-11(10)14/h2-3,6,8,15H,4-5,7H2,1H3/t8-/m0/s1.
What are the key properties of (2,5-difluorophenyl)-[(2S)-2-methylpiperazin-1-yl]methanone?
(2,5-difluorophenyl)-[(2S)-2-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 (2,5-difluorophenyl)-[(2S)-2-methylpiperazin-1-yl]methanone is sourced from PubChem (CID 82705670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).