(2S)-1-[(2,4-difluorophenyl)methyl]-2-methylpiperazine

C12H16F2N2 — CID 82713388

IUPAC(2S)-1-[(2,4-difluorophenyl)methyl]-2-methylpiperazine
SMILESC[C@H]1CNCCN1Cc1ccc(F)cc1F
InChIInChI=1S/C12H16F2N2/c1-9-7-15-4-5-16(9)8-10-2-3-11(13)6-12(10)14/h2-3,6,9,15H,4-5,7-8H2,1H3/t9-/m0/s1
InChIKeyAJANSCODQWKDSA-VIFPVBQESA-N
MW226.27 g/mol
LogP1.76
Rot. Bonds2

About (2S)-1-[(2,4-difluorophenyl)methyl]-2-methylpiperazine

(2S)-1-[(2,4-difluorophenyl)methyl]-2-methylpiperazine (PubChem CID 82713388) has the molecular formula C12H16F2N2 and a molecular weight of 226.27 g/mol. Its IUPAC name is (2S)-1-[(2,4-difluorophenyl)methyl]-2-methylpiperazine.

Molecular Properties

Compound Name(2S)-1-[(2,4-difluorophenyl)methyl]-2-methylpiperazine
PubChem CID82713388
Molecular FormulaC12H16F2N2
Molecular Weight226.27 g/mol
Exact Mass226.13
IUPAC Name(2S)-1-[(2,4-difluorophenyl)methyl]-2-methylpiperazine
SMILESC[C@H]1CNCCN1Cc1ccc(F)cc1F
InChIInChI=1S/C12H16F2N2/c1-9-7-15-4-5-16(9)8-10-2-3-11(13)6-12(10)14/h2-3,6,9,15H,4-5,7-8H2,1H3/t9-/m0/s1
InChIKeyAJANSCODQWKDSA-VIFPVBQESA-N
XLogP1.76
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.27
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-methyl-1-[(2,3,5-trifluorophenyl)methyl]piperazine
CID 69099483
1-[(2,4-difluorophenyl)methyl]-2-propan-2-ylpiperazine
CID 64833925
2-cyclopropyl-1-[(2,4-difluorophenyl)methyl]piperazine
CID 64833733
2-butan-2-yl-1-[(2,4-difluorophenyl)methyl]piperazine
CID 64846833
1-[(2,4-difluorophenyl)methyl]-2-(2-methoxyphenyl)piperazine;hydrochloride
CID 120753939
1-[(2,3-difluorophenyl)methyl]-2-methylpiperazine;hydrochloride
CID 119916613
1-[(2,4-difluorophenyl)methyl]-5,5-diethyl-2-methylpiperazine
CID 64859837
5-cyclopropyl-1-[(2,4-difluorophenyl)methyl]-2-methylpiperazine
CID 64859705
1-[(2,4-difluorophenyl)methyl]-2-methyl-5-propan-2-ylpiperazine
CID 64833514
(2R)-1-[(2-chlorothiophen-3-yl)methyl]-2-methylpiperazine;hydrochloride
CID 120839250
(2R)-1-[(2,5-dimethylphenyl)methyl]-2-methylpiperazine
CID 82713288
(2R)-1-[(2-methoxyphenyl)methyl]-2-methylpiperazine
CID 82755826

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(2,4-difluorophenyl)methyl]-2-methylpiperazine?
The IUPAC name of (2S)-1-[(2,4-difluorophenyl)methyl]-2-methylpiperazine (CID 82713388) is (2S)-1-[(2,4-difluorophenyl)methyl]-2-methylpiperazine.
What is the SMILES notation for (2S)-1-[(2,4-difluorophenyl)methyl]-2-methylpiperazine?
The canonical SMILES for (2S)-1-[(2,4-difluorophenyl)methyl]-2-methylpiperazine is C[C@H]1CNCCN1Cc1ccc(F)cc1F.
What is the InChIKey of (2S)-1-[(2,4-difluorophenyl)methyl]-2-methylpiperazine?
The InChIKey is AJANSCODQWKDSA-VIFPVBQESA-N. The full InChI is InChI=1S/C12H16F2N2/c1-9-7-15-4-5-16(9)8-10-2-3-11(13)6-12(10)14/h2-3,6,9,15H,4-5,7-8H2,1H3/t9-/m0/s1.
What are the key properties of (2S)-1-[(2,4-difluorophenyl)methyl]-2-methylpiperazine?
(2S)-1-[(2,4-difluorophenyl)methyl]-2-methylpiperazine has a molecular weight of 226.27 g/mol, XLogP of 1.76, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[(2,4-difluorophenyl)methyl]-2-methylpiperazine is sourced from PubChem (CID 82713388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).