1-[(2,4-difluorophenyl)-(4-methylphenyl)methyl]piperazine

C18H20F2N2 — CID 5211838

IUPAC1-[(2,4-difluorophenyl)-(4-methylphenyl)methyl]piperazine
SMILESCc1ccc(C(c2ccc(F)cc2F)N2CCNCC2)cc1
InChIInChI=1S/C18H20F2N2/c1-13-2-4-14(5-3-13)18(22-10-8-21-9-11-22)16-7-6-15(19)12-17(16)20/h2-7,12,18,21H,8-11H2,1H3
InChIKeyHWVYSXYDWSEFSA-UHFFFAOYSA-N
MW302.37 g/mol
LogP3.27
Rot. Bonds3

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

1-[(2,4-difluorophenyl)-(4-methylphenyl)methyl]piperazine (PubChem CID 5211838) has the molecular formula C18H20F2N2 and a molecular weight of 302.37 g/mol. Its IUPAC name is 1-[(2,4-difluorophenyl)-(4-methylphenyl)methyl]piperazine.

Molecular Properties

Compound Name1-[(2,4-difluorophenyl)-(4-methylphenyl)methyl]piperazine
PubChem CID5211838
Molecular FormulaC18H20F2N2
Molecular Weight302.37 g/mol
Exact Mass302.16
IUPAC Name1-[(2,4-difluorophenyl)-(4-methylphenyl)methyl]piperazine
SMILESCc1ccc(C(c2ccc(F)cc2F)N2CCNCC2)cc1
InChIInChI=1S/C18H20F2N2/c1-13-2-4-14(5-3-13)18(22-10-8-21-9-11-22)16-7-6-15(19)12-17(16)20/h2-7,12,18,21H,8-11H2,1H3
InChIKeyHWVYSXYDWSEFSA-UHFFFAOYSA-N
XLogP3.27
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2,4-difluorophenyl)-(2,4-dimethylphenyl)methyl]-1,4-diazepane
CID 5130926
1-[(3-fluorophenyl)-(4-methylphenyl)methyl]piperazine
CID 3971092
1-[(2,4-difluorophenyl)-(2,5-dimethylphenyl)methyl]-1,4-diazepane
CID 4637236
1-[(2,5-dichlorophenyl)-(4-methylphenyl)methyl]piperazine
CID 4738696
1-[(S)-(2-fluoro-4-methylphenyl)-thiophen-3-ylmethyl]piperazine
CID 171175555
1-[(2,4-difluorophenyl)-(4-phenylmethoxyphenyl)methyl]piperazine
CID 3766274
1-[(2,4-difluorophenyl)-(2-methylphenyl)methyl]-1,4-diazepane
CID 3761788
1-[(2,4-difluorophenyl)-(3-ethoxyphenyl)methyl]piperazine
CID 3970423
1-[(1S)-1-(2,4-difluorophenyl)ethyl]piperazine;hydrochloride
CID 171162993
1-[(2,4-difluorophenyl)-(2,3,4-trimethoxyphenyl)methyl]piperazine
CID 4306494
1-[(1S)-1-(2,4-difluorophenyl)prop-2-enyl]piperazine
CID 171162999
1-(2,4-difluorophenyl)-N-methyl-1-piperazin-1-ylmethanamine
CID 116954814

Frequently Asked Questions

What is the IUPAC name of 1-[(2,4-difluorophenyl)-(4-methylphenyl)methyl]piperazine?
The IUPAC name of 1-[(2,4-difluorophenyl)-(4-methylphenyl)methyl]piperazine (CID 5211838) is 1-[(2,4-difluorophenyl)-(4-methylphenyl)methyl]piperazine.
What is the SMILES notation for 1-[(2,4-difluorophenyl)-(4-methylphenyl)methyl]piperazine?
The canonical SMILES for 1-[(2,4-difluorophenyl)-(4-methylphenyl)methyl]piperazine is Cc1ccc(C(c2ccc(F)cc2F)N2CCNCC2)cc1.
What is the InChIKey of 1-[(2,4-difluorophenyl)-(4-methylphenyl)methyl]piperazine?
The InChIKey is HWVYSXYDWSEFSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F2N2/c1-13-2-4-14(5-3-13)18(22-10-8-21-9-11-22)16-7-6-15(19)12-17(16)20/h2-7,12,18,21H,8-11H2,1H3.
What are the key properties of 1-[(2,4-difluorophenyl)-(4-methylphenyl)methyl]piperazine?
1-[(2,4-difluorophenyl)-(4-methylphenyl)methyl]piperazine has a molecular weight of 302.37 g/mol, XLogP of 3.27, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,4-difluorophenyl)-(4-methylphenyl)methyl]piperazine is sourced from PubChem (CID 5211838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).