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

C14H21FN2O3 — CID 117457867

IUPAC1-[(3-fluoro-2,4,5-trimethoxyphenyl)methyl]piperazine
SMILESCOc1cc(CN2CCNCC2)c(OC)c(F)c1OC
InChIInChI=1S/C14H21FN2O3/c1-18-11-8-10(9-17-6-4-16-5-7-17)13(19-2)12(15)14(11)20-3/h8,16H,4-7,9H2,1-3H3
InChIKeyXAPZMONNFRJPKX-UHFFFAOYSA-N
MW284.33 g/mol
LogP1.26
Rot. Bonds5

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

1-[(3-fluoro-2,4,5-trimethoxyphenyl)methyl]piperazine (PubChem CID 117457867) has the molecular formula C14H21FN2O3 and a molecular weight of 284.33 g/mol. Its IUPAC name is 1-[(3-fluoro-2,4,5-trimethoxyphenyl)methyl]piperazine.

Molecular Properties

Compound Name1-[(3-fluoro-2,4,5-trimethoxyphenyl)methyl]piperazine
PubChem CID117457867
Molecular FormulaC14H21FN2O3
Molecular Weight284.33 g/mol
Exact Mass284.15
IUPAC Name1-[(3-fluoro-2,4,5-trimethoxyphenyl)methyl]piperazine
SMILESCOc1cc(CN2CCNCC2)c(OC)c(F)c1OC
InChIInChI=1S/C14H21FN2O3/c1-18-11-8-10(9-17-6-4-16-5-7-17)13(19-2)12(15)14(11)20-3/h8,16H,4-7,9H2,1-3H3
InChIKeyXAPZMONNFRJPKX-UHFFFAOYSA-N
XLogP1.26
TPSA42.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.33
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[(3-fluoro-2,4,5-trimethoxyphenyl)methyl]piperazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(5-chloro-3-fluoro-2,4-dimethoxyphenyl)methyl]piperazine
CID 117466502
1-[(5-fluoro-2-methoxy-3-methylsulfanylphenyl)methyl]piperazine
CID 117429286
1-[(5-ethyl-2,3-dimethoxyphenyl)methyl]piperazine
CID 117415820
1-[(3,4-difluoro-2-methoxyphenyl)methyl]piperazine
CID 115006374
1-[(5-chloro-4-fluoro-2-methoxy-3-methylphenyl)methyl]piperazine
CID 117434676
1-[(1-fluoro-4-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)methyl]piperazine
CID 117446549
1-[(2,4,5-trimethoxyphenyl)methyl]piperazine;hydrochloride
CID 46736385
1-[(4-bromo-3-fluoro-2-methoxyphenyl)methyl]piperazine
CID 117488144
1-[(5-fluoro-3-methoxy-2-methylphenyl)methyl]piperazine
CID 84700768
1-[(4,5-dimethoxy-2-methylsulfanylphenyl)methyl]piperazine
CID 117454038
1-[(5-ethyl-3-fluoro-2-methoxyphenyl)methyl]piperazine
CID 117384414
1-[[4,5-dimethoxy-2-(trifluoromethyl)phenyl]methyl]piperazine
CID 117489558

Frequently Asked Questions

What is the IUPAC name of 1-[(3-fluoro-2,4,5-trimethoxyphenyl)methyl]piperazine?
The IUPAC name of 1-[(3-fluoro-2,4,5-trimethoxyphenyl)methyl]piperazine (CID 117457867) is 1-[(3-fluoro-2,4,5-trimethoxyphenyl)methyl]piperazine.
What is the SMILES notation for 1-[(3-fluoro-2,4,5-trimethoxyphenyl)methyl]piperazine?
The canonical SMILES for 1-[(3-fluoro-2,4,5-trimethoxyphenyl)methyl]piperazine is COc1cc(CN2CCNCC2)c(OC)c(F)c1OC.
What is the InChIKey of 1-[(3-fluoro-2,4,5-trimethoxyphenyl)methyl]piperazine?
The InChIKey is XAPZMONNFRJPKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O3/c1-18-11-8-10(9-17-6-4-16-5-7-17)13(19-2)12(15)14(11)20-3/h8,16H,4-7,9H2,1-3H3.
What are the key properties of 1-[(3-fluoro-2,4,5-trimethoxyphenyl)methyl]piperazine?
1-[(3-fluoro-2,4,5-trimethoxyphenyl)methyl]piperazine has a molecular weight of 284.33 g/mol, XLogP of 1.26, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-fluoro-2,4,5-trimethoxyphenyl)methyl]piperazine is sourced from PubChem (CID 117457867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).