(2R,5R)-5-(fluoromethyl)-2-methylpiperazine-1-carboxylic acid

C7H13FN2O2 — CID 89157436

IUPAC(2R,5R)-5-(fluoromethyl)-2-methylpiperazine-1-carboxylic acid
SMILESC[C@@H]1CN[C@@H](CF)CN1C(=O)O
InChIInChI=1S/C7H13FN2O2/c1-5-3-9-6(2-8)4-10(5)7(11)12/h5-6,9H,2-4H2,1H3,(H,11,12)/t5-,6+/m1/s1
InChIKeyIKUSBZQHBWJOFR-RITPCOANSA-N
MW176.19 g/mol
LogP0.30
Rot. Bonds1

About (2R,5R)-5-(fluoromethyl)-2-methylpiperazine-1-carboxylic acid

(2R,5R)-5-(fluoromethyl)-2-methylpiperazine-1-carboxylic acid (PubChem CID 89157436) has the molecular formula C7H13FN2O2 and a molecular weight of 176.19 g/mol. Its IUPAC name is (2R,5R)-5-(fluoromethyl)-2-methylpiperazine-1-carboxylic acid.

Molecular Properties

Compound Name(2R,5R)-5-(fluoromethyl)-2-methylpiperazine-1-carboxylic acid
PubChem CID89157436
Molecular FormulaC7H13FN2O2
Molecular Weight176.19 g/mol
Exact Mass176.10
IUPAC Name(2R,5R)-5-(fluoromethyl)-2-methylpiperazine-1-carboxylic acid
SMILESC[C@@H]1CN[C@@H](CF)CN1C(=O)O
InChIInChI=1S/C7H13FN2O2/c1-5-3-9-6(2-8)4-10(5)7(11)12/h5-6,9H,2-4H2,1H3,(H,11,12)/t5-,6+/m1/s1
InChIKeyIKUSBZQHBWJOFR-RITPCOANSA-N
XLogP0.30
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.19
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (2R,5R)-5-(fluoromethyl)-2-methylpiperazine-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 (2R,5R)-5-(fluoromethyl)-2-methylpiperazine-1-carboxylic acid?
The IUPAC name of (2R,5R)-5-(fluoromethyl)-2-methylpiperazine-1-carboxylic acid (CID 89157436) is (2R,5R)-5-(fluoromethyl)-2-methylpiperazine-1-carboxylic acid.
What is the SMILES notation for (2R,5R)-5-(fluoromethyl)-2-methylpiperazine-1-carboxylic acid?
The canonical SMILES for (2R,5R)-5-(fluoromethyl)-2-methylpiperazine-1-carboxylic acid is C[C@@H]1CN[C@@H](CF)CN1C(=O)O.
What is the InChIKey of (2R,5R)-5-(fluoromethyl)-2-methylpiperazine-1-carboxylic acid?
The InChIKey is IKUSBZQHBWJOFR-RITPCOANSA-N. The full InChI is InChI=1S/C7H13FN2O2/c1-5-3-9-6(2-8)4-10(5)7(11)12/h5-6,9H,2-4H2,1H3,(H,11,12)/t5-,6+/m1/s1.
What are the key properties of (2R,5R)-5-(fluoromethyl)-2-methylpiperazine-1-carboxylic acid?
(2R,5R)-5-(fluoromethyl)-2-methylpiperazine-1-carboxylic acid has a molecular weight of 176.19 g/mol, XLogP of 0.30, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5R)-5-(fluoromethyl)-2-methylpiperazine-1-carboxylic acid is sourced from PubChem (CID 89157436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).