1-[(3,5-dimethylphenyl)-(5-fluoro-2-methoxyphenyl)methyl]piperazine

C20H25FN2O — CID 4202298

IUPAC1-[(3,5-dimethylphenyl)-(5-fluoro-2-methoxyphenyl)methyl]piperazine
SMILESCOc1ccc(F)cc1C(c1cc(C)cc(C)c1)N1CCNCC1
InChIInChI=1S/C20H25FN2O/c1-14-10-15(2)12-16(11-14)20(23-8-6-22-7-9-23)18-13-17(21)4-5-19(18)24-3/h4-5,10-13,20,22H,6-9H2,1-3H3
InChIKeyPJTHWFNERWTLQK-UHFFFAOYSA-N
MW328.43 g/mol
LogP3.45
Rot. Bonds4

About 1-[(3,5-dimethylphenyl)-(5-fluoro-2-methoxyphenyl)methyl]piperazine

1-[(3,5-dimethylphenyl)-(5-fluoro-2-methoxyphenyl)methyl]piperazine (PubChem CID 4202298) has the molecular formula C20H25FN2O and a molecular weight of 328.43 g/mol. Its IUPAC name is 1-[(3,5-dimethylphenyl)-(5-fluoro-2-methoxyphenyl)methyl]piperazine.

Molecular Properties

Compound Name1-[(3,5-dimethylphenyl)-(5-fluoro-2-methoxyphenyl)methyl]piperazine
PubChem CID4202298
Molecular FormulaC20H25FN2O
Molecular Weight328.43 g/mol
Exact Mass328.20
IUPAC Name1-[(3,5-dimethylphenyl)-(5-fluoro-2-methoxyphenyl)methyl]piperazine
SMILESCOc1ccc(F)cc1C(c1cc(C)cc(C)c1)N1CCNCC1
InChIInChI=1S/C20H25FN2O/c1-14-10-15(2)12-16(11-14)20(23-8-6-22-7-9-23)18-13-17(21)4-5-19(18)24-3/h4-5,10-13,20,22H,6-9H2,1-3H3
InChIKeyPJTHWFNERWTLQK-UHFFFAOYSA-N
XLogP3.45
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.43
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(5-fluoro-2-methoxyphenyl)-(3,4,5-trimethoxyphenyl)methyl]piperazine
CID 4538369
1-[(5-bromo-2-methoxyphenyl)-(3,5-dimethylphenyl)methyl]piperazine
CID 3809899
1-[1,3-benzodioxol-5-yl-(5-fluoro-2-methoxyphenyl)methyl]piperazine
CID 3398126
1-[(5-fluoro-2-methoxyphenyl)-thiophen-3-ylmethyl]-1,4-diazepane
CID 3820279
1-[(2,4-difluorophenyl)-(5-fluoro-2-methoxyphenyl)methyl]-1,4-diazepane
CID 3737760
1-[(1S)-1-(5-fluoro-2-methoxyphenyl)ethyl]piperazine;hydrochloride
CID 171164703
1-[1,3-benzodioxol-5-yl-(5-fluoro-2-methoxyphenyl)methyl]-1,4-diazepane
CID 3817193
1-(5-fluoro-2-methoxyphenyl)-N-methyl-1-piperazin-1-ylmethanamine
CID 116954788
1-[(3-fluorophenyl)-(2-methoxyphenyl)methyl]-1,4-diazepane
CID 3603710
1-[1-benzothiophen-3-yl-(5-fluoro-2-methoxyphenyl)methyl]piperazine
CID 5193096
1-[(1R)-3-fluoro-1-(5-fluoro-2-methoxyphenyl)propyl]piperazine;hydrochloride
CID 171170190
1-[(5-fluoro-2-methoxyphenyl)-pyridin-2-ylmethyl]-1,4-diazepane
CID 4550938

Frequently Asked Questions

What is the IUPAC name of 1-[(3,5-dimethylphenyl)-(5-fluoro-2-methoxyphenyl)methyl]piperazine?
The IUPAC name of 1-[(3,5-dimethylphenyl)-(5-fluoro-2-methoxyphenyl)methyl]piperazine (CID 4202298) is 1-[(3,5-dimethylphenyl)-(5-fluoro-2-methoxyphenyl)methyl]piperazine.
What is the SMILES notation for 1-[(3,5-dimethylphenyl)-(5-fluoro-2-methoxyphenyl)methyl]piperazine?
The canonical SMILES for 1-[(3,5-dimethylphenyl)-(5-fluoro-2-methoxyphenyl)methyl]piperazine is COc1ccc(F)cc1C(c1cc(C)cc(C)c1)N1CCNCC1.
What is the InChIKey of 1-[(3,5-dimethylphenyl)-(5-fluoro-2-methoxyphenyl)methyl]piperazine?
The InChIKey is PJTHWFNERWTLQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN2O/c1-14-10-15(2)12-16(11-14)20(23-8-6-22-7-9-23)18-13-17(21)4-5-19(18)24-3/h4-5,10-13,20,22H,6-9H2,1-3H3.
What are the key properties of 1-[(3,5-dimethylphenyl)-(5-fluoro-2-methoxyphenyl)methyl]piperazine?
1-[(3,5-dimethylphenyl)-(5-fluoro-2-methoxyphenyl)methyl]piperazine has a molecular weight of 328.43 g/mol, XLogP of 3.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,5-dimethylphenyl)-(5-fluoro-2-methoxyphenyl)methyl]piperazine is sourced from PubChem (CID 4202298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).