bis[4-[(4-fluorophenyl)methyl]piperazin-1-yl]methanone

C23H28F2N4O — CID 174550419

IUPACbis[4-[(4-fluorophenyl)methyl]piperazin-1-yl]methanone
SMILESO=C(N1CCN(Cc2ccc(F)cc2)CC1)N1CCN(Cc2ccc(F)cc2)CC1
InChIInChI=1S/C23H28F2N4O/c24-21-5-1-19(2-6-21)17-26-9-13-28(14-10-26)23(30)29-15-11-27(12-16-29)18-20-3-7-22(25)8-4-20/h1-8H,9-18H2
InChIKeyMGOZJBLXAOQIDW-UHFFFAOYSA-N
MW414.50 g/mol
LogP3.02
Rot. Bonds4

About bis[4-[(4-fluorophenyl)methyl]piperazin-1-yl]methanone

bis[4-[(4-fluorophenyl)methyl]piperazin-1-yl]methanone (PubChem CID 174550419) has the molecular formula C23H28F2N4O and a molecular weight of 414.50 g/mol. Its IUPAC name is bis[4-[(4-fluorophenyl)methyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Namebis[4-[(4-fluorophenyl)methyl]piperazin-1-yl]methanone
PubChem CID174550419
Molecular FormulaC23H28F2N4O
Molecular Weight414.50 g/mol
Exact Mass414.22
IUPAC Namebis[4-[(4-fluorophenyl)methyl]piperazin-1-yl]methanone
SMILESO=C(N1CCN(Cc2ccc(F)cc2)CC1)N1CCN(Cc2ccc(F)cc2)CC1
InChIInChI=1S/C23H28F2N4O/c24-21-5-1-19(2-6-21)17-26-9-13-28(14-10-26)23(30)29-15-11-27(12-16-29)18-20-3-7-22(25)8-4-20/h1-8H,9-18H2
InChIKeyMGOZJBLXAOQIDW-UHFFFAOYSA-N
XLogP3.02
TPSA30.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.50
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of bis[4-[(4-fluorophenyl)methyl]piperazin-1-yl]methanone?
The IUPAC name of bis[4-[(4-fluorophenyl)methyl]piperazin-1-yl]methanone (CID 174550419) is bis[4-[(4-fluorophenyl)methyl]piperazin-1-yl]methanone.
What is the SMILES notation for bis[4-[(4-fluorophenyl)methyl]piperazin-1-yl]methanone?
The canonical SMILES for bis[4-[(4-fluorophenyl)methyl]piperazin-1-yl]methanone is O=C(N1CCN(Cc2ccc(F)cc2)CC1)N1CCN(Cc2ccc(F)cc2)CC1.
What is the InChIKey of bis[4-[(4-fluorophenyl)methyl]piperazin-1-yl]methanone?
The InChIKey is MGOZJBLXAOQIDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28F2N4O/c24-21-5-1-19(2-6-21)17-26-9-13-28(14-10-26)23(30)29-15-11-27(12-16-29)18-20-3-7-22(25)8-4-20/h1-8H,9-18H2.
What are the key properties of bis[4-[(4-fluorophenyl)methyl]piperazin-1-yl]methanone?
bis[4-[(4-fluorophenyl)methyl]piperazin-1-yl]methanone has a molecular weight of 414.50 g/mol, XLogP of 3.02, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis[4-[(4-fluorophenyl)methyl]piperazin-1-yl]methanone is sourced from PubChem (CID 174550419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).