(2R,3R)-2-methyl-3-(2-phenoxyethyl)piperazine

C13H20N2O — CID 70313625

IUPAC(2R,3R)-2-methyl-3-(2-phenoxyethyl)piperazine
SMILESC[C@H]1NCCN[C@@H]1CCOc1ccccc1
InChIInChI=1S/C13H20N2O/c1-11-13(15-9-8-14-11)7-10-16-12-5-3-2-4-6-12/h2-6,11,13-15H,7-10H2,1H3/t11-,13-/m1/s1
InChIKeyKFXCMAUAGUDQSS-DGCLKSJQSA-N
MW220.32 g/mol
LogP1.41
Rot. Bonds4

About (2R,3R)-2-methyl-3-(2-phenoxyethyl)piperazine

(2R,3R)-2-methyl-3-(2-phenoxyethyl)piperazine (PubChem CID 70313625) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is (2R,3R)-2-methyl-3-(2-phenoxyethyl)piperazine.

Molecular Properties

Compound Name(2R,3R)-2-methyl-3-(2-phenoxyethyl)piperazine
PubChem CID70313625
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name(2R,3R)-2-methyl-3-(2-phenoxyethyl)piperazine
SMILESC[C@H]1NCCN[C@@H]1CCOc1ccccc1
InChIInChI=1S/C13H20N2O/c1-11-13(15-9-8-14-11)7-10-16-12-5-3-2-4-6-12/h2-6,11,13-15H,7-10H2,1H3/t11-,13-/m1/s1
InChIKeyKFXCMAUAGUDQSS-DGCLKSJQSA-N
XLogP1.41
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R,3R)-2-methyl-3-(2-phenoxyethyl)piperazine?
The IUPAC name of (2R,3R)-2-methyl-3-(2-phenoxyethyl)piperazine (CID 70313625) is (2R,3R)-2-methyl-3-(2-phenoxyethyl)piperazine.
What is the SMILES notation for (2R,3R)-2-methyl-3-(2-phenoxyethyl)piperazine?
The canonical SMILES for (2R,3R)-2-methyl-3-(2-phenoxyethyl)piperazine is C[C@H]1NCCN[C@@H]1CCOc1ccccc1.
What is the InChIKey of (2R,3R)-2-methyl-3-(2-phenoxyethyl)piperazine?
The InChIKey is KFXCMAUAGUDQSS-DGCLKSJQSA-N. The full InChI is InChI=1S/C13H20N2O/c1-11-13(15-9-8-14-11)7-10-16-12-5-3-2-4-6-12/h2-6,11,13-15H,7-10H2,1H3/t11-,13-/m1/s1.
What are the key properties of (2R,3R)-2-methyl-3-(2-phenoxyethyl)piperazine?
(2R,3R)-2-methyl-3-(2-phenoxyethyl)piperazine has a molecular weight of 220.32 g/mol, XLogP of 1.41, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-2-methyl-3-(2-phenoxyethyl)piperazine is sourced from PubChem (CID 70313625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).