1-[(2,3-difluorophenyl)methyl]-2-methylpiperazine;hydrochloride

C12H17ClF2N2 — CID 119916613

IUPAC1-[(2,3-difluorophenyl)methyl]-2-methylpiperazine;hydrochloride
SMILESCC1CNCCN1Cc1cccc(F)c1F.Cl
InChIInChI=1S/C12H16F2N2.ClH/c1-9-7-15-5-6-16(9)8-10-3-2-4-11(13)12(10)14;/h2-4,9,15H,5-8H2,1H3;1H
InChIKeyZNTWCPMAVBIMNZ-UHFFFAOYSA-N
MW262.73 g/mol
LogP2.18
Rot. Bonds2

About 1-[(2,3-difluorophenyl)methyl]-2-methylpiperazine;hydrochloride

1-[(2,3-difluorophenyl)methyl]-2-methylpiperazine;hydrochloride (PubChem CID 119916613) has the molecular formula C12H17ClF2N2 and a molecular weight of 262.73 g/mol. Its IUPAC name is 1-[(2,3-difluorophenyl)methyl]-2-methylpiperazine;hydrochloride.

Molecular Properties

Compound Name1-[(2,3-difluorophenyl)methyl]-2-methylpiperazine;hydrochloride
PubChem CID119916613
Molecular FormulaC12H17ClF2N2
Molecular Weight262.73 g/mol
Exact Mass262.10
IUPAC Name1-[(2,3-difluorophenyl)methyl]-2-methylpiperazine;hydrochloride
SMILESCC1CNCCN1Cc1cccc(F)c1F.Cl
InChIInChI=1S/C12H16F2N2.ClH/c1-9-7-15-5-6-16(9)8-10-3-2-4-11(13)12(10)14;/h2-4,9,15H,5-8H2,1H3;1H
InChIKeyZNTWCPMAVBIMNZ-UHFFFAOYSA-N
XLogP2.18
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.73
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-1-[(3-chloro-2-fluorophenyl)methyl]-2-methylpiperazine
CID 95212246
(2R)-2-methyl-1-[(2,3,5-trifluorophenyl)methyl]piperazine
CID 69099483
(2S)-1-[(2-fluoro-3-nitrophenyl)methyl]-2-methylpiperazine
CID 107350328
(2R)-1-[(2-bromo-6-fluorophenyl)methyl]-2-methylpiperazine;hydrochloride
CID 120839243
(2R)-1-[(2-chloro-6-fluorophenyl)methyl]-2-methylpiperazine
CID 82713463
(2R)-1-[(2-bromo-6-fluorophenyl)methyl]-2-methylpiperazine
CID 120839244
(2S)-1-[(2,4-difluorophenyl)methyl]-2-methylpiperazine
CID 82713388
1-[(2,3-difluorophenyl)methyl]-2-(1-methylimidazol-2-yl)piperazine
CID 120869814
(2R)-1-[(2-chlorothiophen-3-yl)methyl]-2-methylpiperazine;hydrochloride
CID 120839250
(2R)-1-[(2-methoxyphenyl)methyl]-2-methylpiperazine
CID 82755826
1-[(4-iodophenyl)methyl]-2-methylpiperazine;hydrochloride
CID 119916408
9-[(2,3-difluorophenyl)methyl]-8-methyl-6,9-diazaspiro[4.5]decane
CID 64877544

Frequently Asked Questions

What is the IUPAC name of 1-[(2,3-difluorophenyl)methyl]-2-methylpiperazine;hydrochloride?
The IUPAC name of 1-[(2,3-difluorophenyl)methyl]-2-methylpiperazine;hydrochloride (CID 119916613) is 1-[(2,3-difluorophenyl)methyl]-2-methylpiperazine;hydrochloride.
What is the SMILES notation for 1-[(2,3-difluorophenyl)methyl]-2-methylpiperazine;hydrochloride?
The canonical SMILES for 1-[(2,3-difluorophenyl)methyl]-2-methylpiperazine;hydrochloride is CC1CNCCN1Cc1cccc(F)c1F.Cl.
What is the InChIKey of 1-[(2,3-difluorophenyl)methyl]-2-methylpiperazine;hydrochloride?
The InChIKey is ZNTWCPMAVBIMNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F2N2.ClH/c1-9-7-15-5-6-16(9)8-10-3-2-4-11(13)12(10)14;/h2-4,9,15H,5-8H2,1H3;1H.
What are the key properties of 1-[(2,3-difluorophenyl)methyl]-2-methylpiperazine;hydrochloride?
1-[(2,3-difluorophenyl)methyl]-2-methylpiperazine;hydrochloride has a molecular weight of 262.73 g/mol, XLogP of 2.18, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,3-difluorophenyl)methyl]-2-methylpiperazine;hydrochloride is sourced from PubChem (CID 119916613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).