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

C12H16F2N2 — CID 763846

IUPAC1-[(2,4-difluorophenyl)methyl]-4-methylpiperazine
SMILESCN1CCN(Cc2ccc(F)cc2F)CC1
InChIInChI=1S/C12H16F2N2/c1-15-4-6-16(7-5-15)9-10-2-3-11(13)8-12(10)14/h2-3,8H,4-7,9H2,1H3
InChIKeyJPYWEAHUWCLMEX-UHFFFAOYSA-N
MW226.27 g/mol
LogP1.71
Rot. Bonds2

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

1-[(2,4-difluorophenyl)methyl]-4-methylpiperazine (PubChem CID 763846) has the molecular formula C12H16F2N2 and a molecular weight of 226.27 g/mol. Its IUPAC name is 1-[(2,4-difluorophenyl)methyl]-4-methylpiperazine.

Molecular Properties

Compound Name1-[(2,4-difluorophenyl)methyl]-4-methylpiperazine
PubChem CID763846
Molecular FormulaC12H16F2N2
Molecular Weight226.27 g/mol
Exact Mass226.13
IUPAC Name1-[(2,4-difluorophenyl)methyl]-4-methylpiperazine
SMILESCN1CCN(Cc2ccc(F)cc2F)CC1
InChIInChI=1S/C12H16F2N2/c1-15-4-6-16(7-5-15)9-10-2-3-11(13)8-12(10)14/h2-3,8H,4-7,9H2,1H3
InChIKeyJPYWEAHUWCLMEX-UHFFFAOYSA-N
XLogP1.71
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.27
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-[(2,4-difluorophenyl)methyl]piperazin-1-yl]ethanamine
CID 55218660
2-[4-[(2,4-difluorophenyl)methyl]piperazin-1-yl]ethanol
CID 2057631
ethane;1-[(2-fluoro-4-methylphenyl)methyl]-4-methylpiperazine
CID 145145193
4-fluoro-2-[(4-methylpiperazin-1-yl)methyl]benzenethiol
CID 91656917
N-[(2,4-difluorophenyl)methyl]-4-methylpiperazin-1-amine
CID 80503148
1-[3-fluoro-4-[(4-methylpiperazin-1-yl)methyl]phenyl]ethanamine
CID 123976437
1-[(2,4-difluorophenyl)methyl]piperazine;hydrochloride
CID 90039977
2-[4-[(2,4-difluorophenyl)methyl]piperazin-1-yl]propan-1-amine
CID 63339468
4-chloro-1-[(2,4-difluorophenyl)methyl]piperidine
CID 63389167
1-[(2,4-difluorophenyl)methyl]-4-[(4-methyl-3-pyridinyl)methyl]piperazine
CID 171334559
1-[(5-fluoro-1-benzofuran-3-yl)methyl]-4-methylpiperazine
CID 117174212
5-fluoro-1-methyl-3-[(4-methylpiperazin-1-yl)methyl]indole
CID 117175000

Frequently Asked Questions

What is the IUPAC name of 1-[(2,4-difluorophenyl)methyl]-4-methylpiperazine?
The IUPAC name of 1-[(2,4-difluorophenyl)methyl]-4-methylpiperazine (CID 763846) is 1-[(2,4-difluorophenyl)methyl]-4-methylpiperazine.
What is the SMILES notation for 1-[(2,4-difluorophenyl)methyl]-4-methylpiperazine?
The canonical SMILES for 1-[(2,4-difluorophenyl)methyl]-4-methylpiperazine is CN1CCN(Cc2ccc(F)cc2F)CC1.
What is the InChIKey of 1-[(2,4-difluorophenyl)methyl]-4-methylpiperazine?
The InChIKey is JPYWEAHUWCLMEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F2N2/c1-15-4-6-16(7-5-15)9-10-2-3-11(13)8-12(10)14/h2-3,8H,4-7,9H2,1H3.
What are the key properties of 1-[(2,4-difluorophenyl)methyl]-4-methylpiperazine?
1-[(2,4-difluorophenyl)methyl]-4-methylpiperazine has a molecular weight of 226.27 g/mol, XLogP of 1.71, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,4-difluorophenyl)methyl]-4-methylpiperazine is sourced from PubChem (CID 763846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).