benzyl 4-(1-fluoro-2-methylpropan-2-yl)piperazine-1-carboxylate

C16H23FN2O2 — CID 66592460

IUPACbenzyl 4-(1-fluoro-2-methylpropan-2-yl)piperazine-1-carboxylate
SMILESCC(C)(CF)N1CCN(C(=O)OCc2ccccc2)CC1
InChIInChI=1S/C16H23FN2O2/c1-16(2,13-17)19-10-8-18(9-11-19)15(20)21-12-14-6-4-3-5-7-14/h3-7H,8-13H2,1-2H3
InChIKeyBSRJKORMNYIXNH-UHFFFAOYSA-N
MW294.37 g/mol
LogP2.69
Rot. Bonds4

About benzyl 4-(1-fluoro-2-methylpropan-2-yl)piperazine-1-carboxylate

benzyl 4-(1-fluoro-2-methylpropan-2-yl)piperazine-1-carboxylate (PubChem CID 66592460) has the molecular formula C16H23FN2O2 and a molecular weight of 294.37 g/mol. Its IUPAC name is benzyl 4-(1-fluoro-2-methylpropan-2-yl)piperazine-1-carboxylate.

Molecular Properties

Compound Namebenzyl 4-(1-fluoro-2-methylpropan-2-yl)piperazine-1-carboxylate
PubChem CID66592460
Molecular FormulaC16H23FN2O2
Molecular Weight294.37 g/mol
Exact Mass294.17
IUPAC Namebenzyl 4-(1-fluoro-2-methylpropan-2-yl)piperazine-1-carboxylate
SMILESCC(C)(CF)N1CCN(C(=O)OCc2ccccc2)CC1
InChIInChI=1S/C16H23FN2O2/c1-16(2,13-17)19-10-8-18(9-11-19)15(20)21-12-14-6-4-3-5-7-14/h3-7H,8-13H2,1-2H3
InChIKeyBSRJKORMNYIXNH-UHFFFAOYSA-N
XLogP2.69
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.37
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze benzyl 4-(1-fluoro-2-methylpropan-2-yl)piperazine-1-carboxylate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of benzyl 4-(1-fluoro-2-methylpropan-2-yl)piperazine-1-carboxylate?
The IUPAC name of benzyl 4-(1-fluoro-2-methylpropan-2-yl)piperazine-1-carboxylate (CID 66592460) is benzyl 4-(1-fluoro-2-methylpropan-2-yl)piperazine-1-carboxylate.
What is the SMILES notation for benzyl 4-(1-fluoro-2-methylpropan-2-yl)piperazine-1-carboxylate?
The canonical SMILES for benzyl 4-(1-fluoro-2-methylpropan-2-yl)piperazine-1-carboxylate is CC(C)(CF)N1CCN(C(=O)OCc2ccccc2)CC1.
What is the InChIKey of benzyl 4-(1-fluoro-2-methylpropan-2-yl)piperazine-1-carboxylate?
The InChIKey is BSRJKORMNYIXNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2O2/c1-16(2,13-17)19-10-8-18(9-11-19)15(20)21-12-14-6-4-3-5-7-14/h3-7H,8-13H2,1-2H3.
What are the key properties of benzyl 4-(1-fluoro-2-methylpropan-2-yl)piperazine-1-carboxylate?
benzyl 4-(1-fluoro-2-methylpropan-2-yl)piperazine-1-carboxylate has a molecular weight of 294.37 g/mol, XLogP of 2.69, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 4-(1-fluoro-2-methylpropan-2-yl)piperazine-1-carboxylate is sourced from PubChem (CID 66592460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).