methyl 4-[[2-(2-fluorophenyl)phenyl]methyl]piperazine-1-carboxylate

C19H21FN2O2 — CID 134802764

IUPACmethyl 4-[[2-(2-fluorophenyl)phenyl]methyl]piperazine-1-carboxylate
SMILESCOC(=O)N1CCN(Cc2ccccc2-c2ccccc2F)CC1
InChIInChI=1S/C19H21FN2O2/c1-24-19(23)22-12-10-21(11-13-22)14-15-6-2-3-7-16(15)17-8-4-5-9-18(17)20/h2-9H,10-14H2,1H3
InChIKeyMEDYPWCEGINYQP-UHFFFAOYSA-N
MW328.39 g/mol
LogP3.38
Rot. Bonds3

About methyl 4-[[2-(2-fluorophenyl)phenyl]methyl]piperazine-1-carboxylate

methyl 4-[[2-(2-fluorophenyl)phenyl]methyl]piperazine-1-carboxylate (PubChem CID 134802764) has the molecular formula C19H21FN2O2 and a molecular weight of 328.39 g/mol. Its IUPAC name is methyl 4-[[2-(2-fluorophenyl)phenyl]methyl]piperazine-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-[[2-(2-fluorophenyl)phenyl]methyl]piperazine-1-carboxylate
PubChem CID134802764
Molecular FormulaC19H21FN2O2
Molecular Weight328.39 g/mol
Exact Mass328.16
IUPAC Namemethyl 4-[[2-(2-fluorophenyl)phenyl]methyl]piperazine-1-carboxylate
SMILESCOC(=O)N1CCN(Cc2ccccc2-c2ccccc2F)CC1
InChIInChI=1S/C19H21FN2O2/c1-24-19(23)22-12-10-21(11-13-22)14-15-6-2-3-7-16(15)17-8-4-5-9-18(17)20/h2-9H,10-14H2,1H3
InChIKeyMEDYPWCEGINYQP-UHFFFAOYSA-N
XLogP3.38
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 4-[[2-(2-fluorophenyl)phenyl]methyl]piperazine-1-carboxylate?
The IUPAC name of methyl 4-[[2-(2-fluorophenyl)phenyl]methyl]piperazine-1-carboxylate (CID 134802764) is methyl 4-[[2-(2-fluorophenyl)phenyl]methyl]piperazine-1-carboxylate.
What is the SMILES notation for methyl 4-[[2-(2-fluorophenyl)phenyl]methyl]piperazine-1-carboxylate?
The canonical SMILES for methyl 4-[[2-(2-fluorophenyl)phenyl]methyl]piperazine-1-carboxylate is COC(=O)N1CCN(Cc2ccccc2-c2ccccc2F)CC1.
What is the InChIKey of methyl 4-[[2-(2-fluorophenyl)phenyl]methyl]piperazine-1-carboxylate?
The InChIKey is MEDYPWCEGINYQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O2/c1-24-19(23)22-12-10-21(11-13-22)14-15-6-2-3-7-16(15)17-8-4-5-9-18(17)20/h2-9H,10-14H2,1H3.
What are the key properties of methyl 4-[[2-(2-fluorophenyl)phenyl]methyl]piperazine-1-carboxylate?
methyl 4-[[2-(2-fluorophenyl)phenyl]methyl]piperazine-1-carboxylate has a molecular weight of 328.39 g/mol, XLogP of 3.38, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[2-(2-fluorophenyl)phenyl]methyl]piperazine-1-carboxylate is sourced from PubChem (CID 134802764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).