2,2,3-trimethyl-1-[2-[2-(2,2,3-trimethylpiperazin-1-yl)ethoxy]ethyl]piperazine

C18H38N4O — CID 139768659

IUPAC2,2,3-trimethyl-1-[2-[2-(2,2,3-trimethylpiperazin-1-yl)ethoxy]ethyl]piperazine
SMILESCC1NCCN(CCOCCN2CCNC(C)C2(C)C)C1(C)C
InChIInChI=1S/C18H38N4O/c1-15-17(3,4)21(9-7-19-15)11-13-23-14-12-22-10-8-20-16(2)18(22,5)6/h15-16,19-20H,7-14H2,1-6H3
InChIKeyGRSRRTUVNYOPRU-UHFFFAOYSA-N
MW326.53 g/mol
LogP1.15
Rot. Bonds6

About 2,2,3-trimethyl-1-[2-[2-(2,2,3-trimethylpiperazin-1-yl)ethoxy]ethyl]piperazine

2,2,3-trimethyl-1-[2-[2-(2,2,3-trimethylpiperazin-1-yl)ethoxy]ethyl]piperazine (PubChem CID 139768659) has the molecular formula C18H38N4O and a molecular weight of 326.53 g/mol. Its IUPAC name is 2,2,3-trimethyl-1-[2-[2-(2,2,3-trimethylpiperazin-1-yl)ethoxy]ethyl]piperazine.

Molecular Properties

Compound Name2,2,3-trimethyl-1-[2-[2-(2,2,3-trimethylpiperazin-1-yl)ethoxy]ethyl]piperazine
PubChem CID139768659
Molecular FormulaC18H38N4O
Molecular Weight326.53 g/mol
Exact Mass326.30
IUPAC Name2,2,3-trimethyl-1-[2-[2-(2,2,3-trimethylpiperazin-1-yl)ethoxy]ethyl]piperazine
SMILESCC1NCCN(CCOCCN2CCNC(C)C2(C)C)C1(C)C
InChIInChI=1S/C18H38N4O/c1-15-17(3,4)21(9-7-19-15)11-13-23-14-12-22-10-8-20-16(2)18(22,5)6/h15-16,19-20H,7-14H2,1-6H3
InChIKeyGRSRRTUVNYOPRU-UHFFFAOYSA-N
XLogP1.15
TPSA39.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.53
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2,3-trimethyl-1-[2-[2-(2,2,3-trimethylpiperazin-1-yl)ethoxy]ethyl]piperazine?
The IUPAC name of 2,2,3-trimethyl-1-[2-[2-(2,2,3-trimethylpiperazin-1-yl)ethoxy]ethyl]piperazine (CID 139768659) is 2,2,3-trimethyl-1-[2-[2-(2,2,3-trimethylpiperazin-1-yl)ethoxy]ethyl]piperazine.
What is the SMILES notation for 2,2,3-trimethyl-1-[2-[2-(2,2,3-trimethylpiperazin-1-yl)ethoxy]ethyl]piperazine?
The canonical SMILES for 2,2,3-trimethyl-1-[2-[2-(2,2,3-trimethylpiperazin-1-yl)ethoxy]ethyl]piperazine is CC1NCCN(CCOCCN2CCNC(C)C2(C)C)C1(C)C.
What is the InChIKey of 2,2,3-trimethyl-1-[2-[2-(2,2,3-trimethylpiperazin-1-yl)ethoxy]ethyl]piperazine?
The InChIKey is GRSRRTUVNYOPRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38N4O/c1-15-17(3,4)21(9-7-19-15)11-13-23-14-12-22-10-8-20-16(2)18(22,5)6/h15-16,19-20H,7-14H2,1-6H3.
What are the key properties of 2,2,3-trimethyl-1-[2-[2-(2,2,3-trimethylpiperazin-1-yl)ethoxy]ethyl]piperazine?
2,2,3-trimethyl-1-[2-[2-(2,2,3-trimethylpiperazin-1-yl)ethoxy]ethyl]piperazine has a molecular weight of 326.53 g/mol, XLogP of 1.15, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3-trimethyl-1-[2-[2-(2,2,3-trimethylpiperazin-1-yl)ethoxy]ethyl]piperazine is sourced from PubChem (CID 139768659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).