1,2,3,6-tetramethyl-5-[3-(3,4,5,6-tetramethylpiperazin-2-yl)butan-2-yloxymethyl]piperazine

C21H44N4O — CID 123283888

IUPAC1,2,3,6-tetramethyl-5-[3-(3,4,5,6-tetramethylpiperazin-2-yl)butan-2-yloxymethyl]piperazine
SMILESCC1NC(COC(C)C(C)C2NC(C)C(C)N(C)C2C)C(C)N(C)C1C
InChIInChI=1S/C21H44N4O/c1-12(21-18(7)25(10)16(5)14(3)23-21)19(8)26-11-20-17(6)24(9)15(4)13(2)22-20/h12-23H,11H2,1-10H3
InChIKeyMTQAORRWMUMPIW-UHFFFAOYSA-N
MW368.61 g/mol
LogP2.17
Rot. Bonds5

About 1,2,3,6-tetramethyl-5-[3-(3,4,5,6-tetramethylpiperazin-2-yl)butan-2-yloxymethyl]piperazine

1,2,3,6-tetramethyl-5-[3-(3,4,5,6-tetramethylpiperazin-2-yl)butan-2-yloxymethyl]piperazine (PubChem CID 123283888) has the molecular formula C21H44N4O and a molecular weight of 368.61 g/mol. Its IUPAC name is 1,2,3,6-tetramethyl-5-[3-(3,4,5,6-tetramethylpiperazin-2-yl)butan-2-yloxymethyl]piperazine.

Molecular Properties

Compound Name1,2,3,6-tetramethyl-5-[3-(3,4,5,6-tetramethylpiperazin-2-yl)butan-2-yloxymethyl]piperazine
PubChem CID123283888
Molecular FormulaC21H44N4O
Molecular Weight368.61 g/mol
Exact Mass368.35
IUPAC Name1,2,3,6-tetramethyl-5-[3-(3,4,5,6-tetramethylpiperazin-2-yl)butan-2-yloxymethyl]piperazine
SMILESCC1NC(COC(C)C(C)C2NC(C)C(C)N(C)C2C)C(C)N(C)C1C
InChIInChI=1S/C21H44N4O/c1-12(21-18(7)25(10)16(5)14(3)23-21)19(8)26-11-20-17(6)24(9)15(4)13(2)22-20/h12-23H,11H2,1-10H3
InChIKeyMTQAORRWMUMPIW-UHFFFAOYSA-N
XLogP2.17
TPSA39.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.61
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,6-tetramethyl-5-[3-(3,4,5,6-tetramethylpiperazin-2-yl)butan-2-yloxymethyl]piperazine?
The IUPAC name of 1,2,3,6-tetramethyl-5-[3-(3,4,5,6-tetramethylpiperazin-2-yl)butan-2-yloxymethyl]piperazine (CID 123283888) is 1,2,3,6-tetramethyl-5-[3-(3,4,5,6-tetramethylpiperazin-2-yl)butan-2-yloxymethyl]piperazine.
What is the SMILES notation for 1,2,3,6-tetramethyl-5-[3-(3,4,5,6-tetramethylpiperazin-2-yl)butan-2-yloxymethyl]piperazine?
The canonical SMILES for 1,2,3,6-tetramethyl-5-[3-(3,4,5,6-tetramethylpiperazin-2-yl)butan-2-yloxymethyl]piperazine is CC1NC(COC(C)C(C)C2NC(C)C(C)N(C)C2C)C(C)N(C)C1C.
What is the InChIKey of 1,2,3,6-tetramethyl-5-[3-(3,4,5,6-tetramethylpiperazin-2-yl)butan-2-yloxymethyl]piperazine?
The InChIKey is MTQAORRWMUMPIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H44N4O/c1-12(21-18(7)25(10)16(5)14(3)23-21)19(8)26-11-20-17(6)24(9)15(4)13(2)22-20/h12-23H,11H2,1-10H3.
What are the key properties of 1,2,3,6-tetramethyl-5-[3-(3,4,5,6-tetramethylpiperazin-2-yl)butan-2-yloxymethyl]piperazine?
1,2,3,6-tetramethyl-5-[3-(3,4,5,6-tetramethylpiperazin-2-yl)butan-2-yloxymethyl]piperazine has a molecular weight of 368.61 g/mol, XLogP of 2.17, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,6-tetramethyl-5-[3-(3,4,5,6-tetramethylpiperazin-2-yl)butan-2-yloxymethyl]piperazine is sourced from PubChem (CID 123283888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).