4-[[4-[(4-fluorophenyl)methoxymethyl]phenyl]methyl]piperazine-1-carboxylic acid

C20H23FN2O3 — CID 67327205

IUPAC4-[[4-[(4-fluorophenyl)methoxymethyl]phenyl]methyl]piperazine-1-carboxylic acid
SMILESO=C(O)N1CCN(Cc2ccc(COCc3ccc(F)cc3)cc2)CC1
InChIInChI=1S/C20H23FN2O3/c21-19-7-5-18(6-8-19)15-26-14-17-3-1-16(2-4-17)13-22-9-11-23(12-10-22)20(24)25/h1-8H,9-15H2,(H,24,25)
InChIKeyANJJPMSTSQBEHX-UHFFFAOYSA-N
MW358.41 g/mol
LogP3.34
Rot. Bonds6

About 4-[[4-[(4-fluorophenyl)methoxymethyl]phenyl]methyl]piperazine-1-carboxylic acid

4-[[4-[(4-fluorophenyl)methoxymethyl]phenyl]methyl]piperazine-1-carboxylic acid (PubChem CID 67327205) has the molecular formula C20H23FN2O3 and a molecular weight of 358.41 g/mol. Its IUPAC name is 4-[[4-[(4-fluorophenyl)methoxymethyl]phenyl]methyl]piperazine-1-carboxylic acid.

Molecular Properties

Compound Name4-[[4-[(4-fluorophenyl)methoxymethyl]phenyl]methyl]piperazine-1-carboxylic acid
PubChem CID67327205
Molecular FormulaC20H23FN2O3
Molecular Weight358.41 g/mol
Exact Mass358.17
IUPAC Name4-[[4-[(4-fluorophenyl)methoxymethyl]phenyl]methyl]piperazine-1-carboxylic acid
SMILESO=C(O)N1CCN(Cc2ccc(COCc3ccc(F)cc3)cc2)CC1
InChIInChI=1S/C20H23FN2O3/c21-19-7-5-18(6-8-19)15-26-14-17-3-1-16(2-4-17)13-22-9-11-23(12-10-22)20(24)25/h1-8H,9-15H2,(H,24,25)
InChIKeyANJJPMSTSQBEHX-UHFFFAOYSA-N
XLogP3.34
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.41
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-[[4-[(4-fluorophenyl)methoxymethyl]phenyl]methyl]piperazine-1-carboxylic acid with MolForge

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Related Compounds

10-[[4-[(4,7,10-tricarboxy-1,4,7,10-tetrazacyclododec-1-yl)methyl]phenyl]methyl]-1,4,7,10-tetrazacyclododecane-1,4,7-tricarboxylic acid
CID 101418290
1,4,7,10-tetrakis[(4-fluorophenyl)methyl]-1,4,7,10-tetrazacyclododecane
CID 102293981
4-[(4-propan-2-yloxyphenyl)methyl]piperazine-1-carboxylic acid
CID 118040700
1-(4-benzylpiperazin-1-yl)-2-(4-fluorophenyl)ethanone
CID 21241521
tert-butyl 4-[(4-fluorophenyl)methyl]piperazine-1-carboxylate;ethane
CID 143091032
7-[(4-fluorophenyl)methyl]-3,7,9-triazabicyclo[3.3.1]nonane-3-carboxylic acid
CID 154370154
4-[(3-bromo-4-fluorophenyl)methyl]piperazine-1-carboxylic acid
CID 142781841
4-[[3-fluoro-5-[(4-fluorophenyl)carbamoylamino]phenyl]methyl]piperazine-1-carboxylic acid
CID 68547760
2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]acetamide
CID 6467730
N-ethyl-4-[(4-fluorophenyl)methyl]piperazine-1-carboxamide;molecular hydrogen
CID 143541774
[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-(4-methoxyphenyl)methanone;oxalic acid
CID 17384978
(4-benzylpiperazin-1-yl)-[3-[(4-fluorophenyl)methoxy]-1-[(4-fluorophenyl)methyl]pyrazol-4-yl]methanone
CID 16925732

Frequently Asked Questions

What is the IUPAC name of 4-[[4-[(4-fluorophenyl)methoxymethyl]phenyl]methyl]piperazine-1-carboxylic acid?
The IUPAC name of 4-[[4-[(4-fluorophenyl)methoxymethyl]phenyl]methyl]piperazine-1-carboxylic acid (CID 67327205) is 4-[[4-[(4-fluorophenyl)methoxymethyl]phenyl]methyl]piperazine-1-carboxylic acid.
What is the SMILES notation for 4-[[4-[(4-fluorophenyl)methoxymethyl]phenyl]methyl]piperazine-1-carboxylic acid?
The canonical SMILES for 4-[[4-[(4-fluorophenyl)methoxymethyl]phenyl]methyl]piperazine-1-carboxylic acid is O=C(O)N1CCN(Cc2ccc(COCc3ccc(F)cc3)cc2)CC1.
What is the InChIKey of 4-[[4-[(4-fluorophenyl)methoxymethyl]phenyl]methyl]piperazine-1-carboxylic acid?
The InChIKey is ANJJPMSTSQBEHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2O3/c21-19-7-5-18(6-8-19)15-26-14-17-3-1-16(2-4-17)13-22-9-11-23(12-10-22)20(24)25/h1-8H,9-15H2,(H,24,25).
What are the key properties of 4-[[4-[(4-fluorophenyl)methoxymethyl]phenyl]methyl]piperazine-1-carboxylic acid?
4-[[4-[(4-fluorophenyl)methoxymethyl]phenyl]methyl]piperazine-1-carboxylic acid has a molecular weight of 358.41 g/mol, XLogP of 3.34, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[(4-fluorophenyl)methoxymethyl]phenyl]methyl]piperazine-1-carboxylic acid is sourced from PubChem (CID 67327205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).