(2R,6R)-1-(2-methoxyethyl)-2,6-dimethyl-4-[[(2R)-1-oxaspiro[4.5]decan-2-yl]methyl]piperazine

C19H36N2O2 — CID 124829482

IUPAC(2R,6R)-1-(2-methoxyethyl)-2,6-dimethyl-4-[[(2R)-1-oxaspiro[4.5]decan-2-yl]methyl]piperazine
SMILESCOCCN1[C@H](C)CN(C[C@H]2CCC3(CCCCC3)O2)C[C@H]1C
InChIInChI=1S/C19H36N2O2/c1-16-13-20(14-17(2)21(16)11-12-22-3)15-18-7-10-19(23-18)8-5-4-6-9-19/h16-18H,4-15H2,1-3H3/t16-,17-,18-/m1/s1
InChIKeyMEGWTMPCMXFIQJ-KZNAEPCWSA-N
MW324.51 g/mol
LogP2.91
Rot. Bonds5

About (2R,6R)-1-(2-methoxyethyl)-2,6-dimethyl-4-[[(2R)-1-oxaspiro[4.5]decan-2-yl]methyl]piperazine

(2R,6R)-1-(2-methoxyethyl)-2,6-dimethyl-4-[[(2R)-1-oxaspiro[4.5]decan-2-yl]methyl]piperazine (PubChem CID 124829482) has the molecular formula C19H36N2O2 and a molecular weight of 324.51 g/mol. Its IUPAC name is (2R,6R)-1-(2-methoxyethyl)-2,6-dimethyl-4-[[(2R)-1-oxaspiro[4.5]decan-2-yl]methyl]piperazine.

Molecular Properties

Compound Name(2R,6R)-1-(2-methoxyethyl)-2,6-dimethyl-4-[[(2R)-1-oxaspiro[4.5]decan-2-yl]methyl]piperazine
PubChem CID124829482
Molecular FormulaC19H36N2O2
Molecular Weight324.51 g/mol
Exact Mass324.28
IUPAC Name(2R,6R)-1-(2-methoxyethyl)-2,6-dimethyl-4-[[(2R)-1-oxaspiro[4.5]decan-2-yl]methyl]piperazine
SMILESCOCCN1[C@H](C)CN(C[C@H]2CCC3(CCCCC3)O2)C[C@H]1C
InChIInChI=1S/C19H36N2O2/c1-16-13-20(14-17(2)21(16)11-12-22-3)15-18-7-10-19(23-18)8-5-4-6-9-19/h16-18H,4-15H2,1-3H3/t16-,17-,18-/m1/s1
InChIKeyMEGWTMPCMXFIQJ-KZNAEPCWSA-N
XLogP2.91
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.51
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (2R,6R)-1-(2-methoxyethyl)-2,6-dimethyl-4-[[(2R)-1-oxaspiro[4.5]decan-2-yl]methyl]piperazine 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,6R)-1-(2-methoxyethyl)-2,6-dimethyl-4-[[(2R)-1-oxaspiro[4.5]decan-2-yl]methyl]piperazine?
The IUPAC name of (2R,6R)-1-(2-methoxyethyl)-2,6-dimethyl-4-[[(2R)-1-oxaspiro[4.5]decan-2-yl]methyl]piperazine (CID 124829482) is (2R,6R)-1-(2-methoxyethyl)-2,6-dimethyl-4-[[(2R)-1-oxaspiro[4.5]decan-2-yl]methyl]piperazine.
What is the SMILES notation for (2R,6R)-1-(2-methoxyethyl)-2,6-dimethyl-4-[[(2R)-1-oxaspiro[4.5]decan-2-yl]methyl]piperazine?
The canonical SMILES for (2R,6R)-1-(2-methoxyethyl)-2,6-dimethyl-4-[[(2R)-1-oxaspiro[4.5]decan-2-yl]methyl]piperazine is COCCN1[C@H](C)CN(C[C@H]2CCC3(CCCCC3)O2)C[C@H]1C.
What is the InChIKey of (2R,6R)-1-(2-methoxyethyl)-2,6-dimethyl-4-[[(2R)-1-oxaspiro[4.5]decan-2-yl]methyl]piperazine?
The InChIKey is MEGWTMPCMXFIQJ-KZNAEPCWSA-N. The full InChI is InChI=1S/C19H36N2O2/c1-16-13-20(14-17(2)21(16)11-12-22-3)15-18-7-10-19(23-18)8-5-4-6-9-19/h16-18H,4-15H2,1-3H3/t16-,17-,18-/m1/s1.
What are the key properties of (2R,6R)-1-(2-methoxyethyl)-2,6-dimethyl-4-[[(2R)-1-oxaspiro[4.5]decan-2-yl]methyl]piperazine?
(2R,6R)-1-(2-methoxyethyl)-2,6-dimethyl-4-[[(2R)-1-oxaspiro[4.5]decan-2-yl]methyl]piperazine has a molecular weight of 324.51 g/mol, XLogP of 2.91, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6R)-1-(2-methoxyethyl)-2,6-dimethyl-4-[[(2R)-1-oxaspiro[4.5]decan-2-yl]methyl]piperazine is sourced from PubChem (CID 124829482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).