2-[(2-fluorophenyl)methyl]-5-hydroxy-2,6-dimethyl-4-[(2-methylpropan-2-yl)oxycarbonyl]piperazine-1-carboxylic acid

C19H27FN2O5 — CID 69142802

IUPAC2-[(2-fluorophenyl)methyl]-5-hydroxy-2,6-dimethyl-4-[(2-methylpropan-2-yl)oxycarbonyl]piperazine-1-carboxylic acid
SMILESCC1C(O)N(C(=O)OC(C)(C)C)CC(C)(Cc2ccccc2F)N1C(=O)O
InChIInChI=1S/C19H27FN2O5/c1-12-15(23)21(17(26)27-18(2,3)4)11-19(5,22(12)16(24)25)10-13-8-6-7-9-14(13)20/h6-9,12,15,23H,10-11H2,1-5H3,(H,24,25)
InChIKeyRLVJBUOWDSKKGB-UHFFFAOYSA-N
MW382.43 g/mol
LogP3.06
Rot. Bonds2

About 2-[(2-fluorophenyl)methyl]-5-hydroxy-2,6-dimethyl-4-[(2-methylpropan-2-yl)oxycarbonyl]piperazine-1-carboxylic acid

2-[(2-fluorophenyl)methyl]-5-hydroxy-2,6-dimethyl-4-[(2-methylpropan-2-yl)oxycarbonyl]piperazine-1-carboxylic acid (PubChem CID 69142802) has the molecular formula C19H27FN2O5 and a molecular weight of 382.43 g/mol. Its IUPAC name is 2-[(2-fluorophenyl)methyl]-5-hydroxy-2,6-dimethyl-4-[(2-methylpropan-2-yl)oxycarbonyl]piperazine-1-carboxylic acid.

Molecular Properties

Compound Name2-[(2-fluorophenyl)methyl]-5-hydroxy-2,6-dimethyl-4-[(2-methylpropan-2-yl)oxycarbonyl]piperazine-1-carboxylic acid
PubChem CID69142802
Molecular FormulaC19H27FN2O5
Molecular Weight382.43 g/mol
Exact Mass382.19
IUPAC Name2-[(2-fluorophenyl)methyl]-5-hydroxy-2,6-dimethyl-4-[(2-methylpropan-2-yl)oxycarbonyl]piperazine-1-carboxylic acid
SMILESCC1C(O)N(C(=O)OC(C)(C)C)CC(C)(Cc2ccccc2F)N1C(=O)O
InChIInChI=1S/C19H27FN2O5/c1-12-15(23)21(17(26)27-18(2,3)4)11-19(5,22(12)16(24)25)10-13-8-6-7-9-14(13)20/h6-9,12,15,23H,10-11H2,1-5H3,(H,24,25)
InChIKeyRLVJBUOWDSKKGB-UHFFFAOYSA-N
XLogP3.06
TPSA90.31 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.43
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[(2-fluorophenyl)methyl]-5-hydroxy-2,6-dimethyl-4-[(2-methylpropan-2-yl)oxycarbonyl]piperazine-1-carboxylic acid 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 2-[(2-fluorophenyl)methyl]-5-hydroxy-2,6-dimethyl-4-[(2-methylpropan-2-yl)oxycarbonyl]piperazine-1-carboxylic acid?
The IUPAC name of 2-[(2-fluorophenyl)methyl]-5-hydroxy-2,6-dimethyl-4-[(2-methylpropan-2-yl)oxycarbonyl]piperazine-1-carboxylic acid (CID 69142802) is 2-[(2-fluorophenyl)methyl]-5-hydroxy-2,6-dimethyl-4-[(2-methylpropan-2-yl)oxycarbonyl]piperazine-1-carboxylic acid.
What is the SMILES notation for 2-[(2-fluorophenyl)methyl]-5-hydroxy-2,6-dimethyl-4-[(2-methylpropan-2-yl)oxycarbonyl]piperazine-1-carboxylic acid?
The canonical SMILES for 2-[(2-fluorophenyl)methyl]-5-hydroxy-2,6-dimethyl-4-[(2-methylpropan-2-yl)oxycarbonyl]piperazine-1-carboxylic acid is CC1C(O)N(C(=O)OC(C)(C)C)CC(C)(Cc2ccccc2F)N1C(=O)O.
What is the InChIKey of 2-[(2-fluorophenyl)methyl]-5-hydroxy-2,6-dimethyl-4-[(2-methylpropan-2-yl)oxycarbonyl]piperazine-1-carboxylic acid?
The InChIKey is RLVJBUOWDSKKGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27FN2O5/c1-12-15(23)21(17(26)27-18(2,3)4)11-19(5,22(12)16(24)25)10-13-8-6-7-9-14(13)20/h6-9,12,15,23H,10-11H2,1-5H3,(H,24,25).
What are the key properties of 2-[(2-fluorophenyl)methyl]-5-hydroxy-2,6-dimethyl-4-[(2-methylpropan-2-yl)oxycarbonyl]piperazine-1-carboxylic acid?
2-[(2-fluorophenyl)methyl]-5-hydroxy-2,6-dimethyl-4-[(2-methylpropan-2-yl)oxycarbonyl]piperazine-1-carboxylic acid has a molecular weight of 382.43 g/mol, XLogP of 3.06, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-fluorophenyl)methyl]-5-hydroxy-2,6-dimethyl-4-[(2-methylpropan-2-yl)oxycarbonyl]piperazine-1-carboxylic acid is sourced from PubChem (CID 69142802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).