1-[(5-fluoro-2-methoxyphenyl)-(3,4,5-trimethoxyphenyl)methyl]piperazine

C21H27FN2O4 — CID 4538369

IUPAC1-[(5-fluoro-2-methoxyphenyl)-(3,4,5-trimethoxyphenyl)methyl]piperazine
SMILESCOc1ccc(F)cc1C(c1cc(OC)c(OC)c(OC)c1)N1CCNCC1
InChIInChI=1S/C21H27FN2O4/c1-25-17-6-5-15(22)13-16(17)20(24-9-7-23-8-10-24)14-11-18(26-2)21(28-4)19(12-14)27-3/h5-6,11-13,20,23H,7-10H2,1-4H3
InChIKeyJGCWWQADKXKMNS-UHFFFAOYSA-N
MW390.46 g/mol
LogP2.85
Rot. Bonds7

About 1-[(5-fluoro-2-methoxyphenyl)-(3,4,5-trimethoxyphenyl)methyl]piperazine

1-[(5-fluoro-2-methoxyphenyl)-(3,4,5-trimethoxyphenyl)methyl]piperazine (PubChem CID 4538369) has the molecular formula C21H27FN2O4 and a molecular weight of 390.46 g/mol. Its IUPAC name is 1-[(5-fluoro-2-methoxyphenyl)-(3,4,5-trimethoxyphenyl)methyl]piperazine.

Molecular Properties

Compound Name1-[(5-fluoro-2-methoxyphenyl)-(3,4,5-trimethoxyphenyl)methyl]piperazine
PubChem CID4538369
Molecular FormulaC21H27FN2O4
Molecular Weight390.46 g/mol
Exact Mass390.20
IUPAC Name1-[(5-fluoro-2-methoxyphenyl)-(3,4,5-trimethoxyphenyl)methyl]piperazine
SMILESCOc1ccc(F)cc1C(c1cc(OC)c(OC)c(OC)c1)N1CCNCC1
InChIInChI=1S/C21H27FN2O4/c1-25-17-6-5-15(22)13-16(17)20(24-9-7-23-8-10-24)14-11-18(26-2)21(28-4)19(12-14)27-3/h5-6,11-13,20,23H,7-10H2,1-4H3
InChIKeyJGCWWQADKXKMNS-UHFFFAOYSA-N
XLogP2.85
TPSA52.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.46
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(3,5-dimethylphenyl)-(5-fluoro-2-methoxyphenyl)methyl]piperazine
CID 4202298
1-[(5-fluoro-2-methoxyphenyl)-thiophen-3-ylmethyl]-1,4-diazepane
CID 3820279
1-[1,3-benzodioxol-5-yl-(5-fluoro-2-methoxyphenyl)methyl]piperazine
CID 3398126
1-[(2,4-difluorophenyl)-(5-fluoro-2-methoxyphenyl)methyl]-1,4-diazepane
CID 3737760
1-[(5-chloro-2-ethoxyphenyl)-(3,4,5-trimethoxyphenyl)methyl]piperazine
CID 3740741
1-[(1S)-1-(5-fluoro-2-methoxyphenyl)ethyl]piperazine;hydrochloride
CID 171164703
1-[(R)-phenyl-(3,4,5-trimethoxyphenyl)methyl]piperazine
CID 7016984
1-[1-benzothiophen-3-yl-(5-fluoro-2-methoxyphenyl)methyl]piperazine
CID 5193096
1-[(2,4-difluorophenyl)-(2,3,4-trimethoxyphenyl)methyl]piperazine
CID 4306494
1-[1,3-benzodioxol-5-yl-(5-fluoro-2-methoxyphenyl)methyl]-1,4-diazepane
CID 3817193
1-[(2,4-difluorophenyl)-(2,3-dimethoxyphenyl)methyl]piperazine
CID 3831284
1-(5-fluoro-2-methoxyphenyl)-N-methyl-1-piperazin-1-ylmethanamine
CID 116954788

Frequently Asked Questions

What is the IUPAC name of 1-[(5-fluoro-2-methoxyphenyl)-(3,4,5-trimethoxyphenyl)methyl]piperazine?
The IUPAC name of 1-[(5-fluoro-2-methoxyphenyl)-(3,4,5-trimethoxyphenyl)methyl]piperazine (CID 4538369) is 1-[(5-fluoro-2-methoxyphenyl)-(3,4,5-trimethoxyphenyl)methyl]piperazine.
What is the SMILES notation for 1-[(5-fluoro-2-methoxyphenyl)-(3,4,5-trimethoxyphenyl)methyl]piperazine?
The canonical SMILES for 1-[(5-fluoro-2-methoxyphenyl)-(3,4,5-trimethoxyphenyl)methyl]piperazine is COc1ccc(F)cc1C(c1cc(OC)c(OC)c(OC)c1)N1CCNCC1.
What is the InChIKey of 1-[(5-fluoro-2-methoxyphenyl)-(3,4,5-trimethoxyphenyl)methyl]piperazine?
The InChIKey is JGCWWQADKXKMNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27FN2O4/c1-25-17-6-5-15(22)13-16(17)20(24-9-7-23-8-10-24)14-11-18(26-2)21(28-4)19(12-14)27-3/h5-6,11-13,20,23H,7-10H2,1-4H3.
What are the key properties of 1-[(5-fluoro-2-methoxyphenyl)-(3,4,5-trimethoxyphenyl)methyl]piperazine?
1-[(5-fluoro-2-methoxyphenyl)-(3,4,5-trimethoxyphenyl)methyl]piperazine has a molecular weight of 390.46 g/mol, XLogP of 2.85, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-fluoro-2-methoxyphenyl)-(3,4,5-trimethoxyphenyl)methyl]piperazine is sourced from PubChem (CID 4538369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).