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

C7H12F2N2O2 — CID 89157233

IUPAC(2R,5R)-5-(difluoromethyl)-2-methylpiperazine-1-carboxylic acid
SMILESC[C@@H]1CN[C@@H](C(F)F)CN1C(=O)O
InChIInChI=1S/C7H12F2N2O2/c1-4-2-10-5(6(8)9)3-11(4)7(12)13/h4-6,10H,2-3H2,1H3,(H,12,13)/t4-,5-/m1/s1
InChIKeyLOOKOMRNNSMOHN-RFZPGFLSSA-N
MW194.18 g/mol
LogP0.59
Rot. Bonds1

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

(2R,5R)-5-(difluoromethyl)-2-methylpiperazine-1-carboxylic acid (PubChem CID 89157233) has the molecular formula C7H12F2N2O2 and a molecular weight of 194.18 g/mol. Its IUPAC name is (2R,5R)-5-(difluoromethyl)-2-methylpiperazine-1-carboxylic acid.

Molecular Properties

Compound Name(2R,5R)-5-(difluoromethyl)-2-methylpiperazine-1-carboxylic acid
PubChem CID89157233
Molecular FormulaC7H12F2N2O2
Molecular Weight194.18 g/mol
Exact Mass194.09
IUPAC Name(2R,5R)-5-(difluoromethyl)-2-methylpiperazine-1-carboxylic acid
SMILESC[C@@H]1CN[C@@H](C(F)F)CN1C(=O)O
InChIInChI=1S/C7H12F2N2O2/c1-4-2-10-5(6(8)9)3-11(4)7(12)13/h4-6,10H,2-3H2,1H3,(H,12,13)/t4-,5-/m1/s1
InChIKeyLOOKOMRNNSMOHN-RFZPGFLSSA-N
XLogP0.59
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.18
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R,5R)-5-(difluoromethyl)-2-methylpiperazine-1-carboxylic acid?
The IUPAC name of (2R,5R)-5-(difluoromethyl)-2-methylpiperazine-1-carboxylic acid (CID 89157233) is (2R,5R)-5-(difluoromethyl)-2-methylpiperazine-1-carboxylic acid.
What is the SMILES notation for (2R,5R)-5-(difluoromethyl)-2-methylpiperazine-1-carboxylic acid?
The canonical SMILES for (2R,5R)-5-(difluoromethyl)-2-methylpiperazine-1-carboxylic acid is C[C@@H]1CN[C@@H](C(F)F)CN1C(=O)O.
What is the InChIKey of (2R,5R)-5-(difluoromethyl)-2-methylpiperazine-1-carboxylic acid?
The InChIKey is LOOKOMRNNSMOHN-RFZPGFLSSA-N. The full InChI is InChI=1S/C7H12F2N2O2/c1-4-2-10-5(6(8)9)3-11(4)7(12)13/h4-6,10H,2-3H2,1H3,(H,12,13)/t4-,5-/m1/s1.
What are the key properties of (2R,5R)-5-(difluoromethyl)-2-methylpiperazine-1-carboxylic acid?
(2R,5R)-5-(difluoromethyl)-2-methylpiperazine-1-carboxylic acid has a molecular weight of 194.18 g/mol, XLogP of 0.59, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5R)-5-(difluoromethyl)-2-methylpiperazine-1-carboxylic acid is sourced from PubChem (CID 89157233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).