1-[2-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxy]prop-2-enoxy]ethoxy]ethoxy]ethoxy]ethyl]piperazine

C19H38N2O5 — CID 166558068

IUPAC1-[2-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxy]prop-2-enoxy]ethoxy]ethoxy]ethoxy]ethyl]piperazine
SMILESC=C(COCCOCCOCCOCCN1CCNCC1)OC(C)(C)C
InChIInChI=1S/C19H38N2O5/c1-18(26-19(2,3)4)17-25-16-15-24-14-13-23-12-11-22-10-9-21-7-5-20-6-8-21/h20H,1,5-17H2,2-4H3
InChIKeyOIJNZEUEFHEXLK-UHFFFAOYSA-N
MW374.52 g/mol
LogP1.29
Rot. Bonds15

About 1-[2-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxy]prop-2-enoxy]ethoxy]ethoxy]ethoxy]ethyl]piperazine

1-[2-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxy]prop-2-enoxy]ethoxy]ethoxy]ethoxy]ethyl]piperazine (PubChem CID 166558068) has the molecular formula C19H38N2O5 and a molecular weight of 374.52 g/mol. Its IUPAC name is 1-[2-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxy]prop-2-enoxy]ethoxy]ethoxy]ethoxy]ethyl]piperazine.

Molecular Properties

Compound Name1-[2-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxy]prop-2-enoxy]ethoxy]ethoxy]ethoxy]ethyl]piperazine
PubChem CID166558068
Molecular FormulaC19H38N2O5
Molecular Weight374.52 g/mol
Exact Mass374.28
IUPAC Name1-[2-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxy]prop-2-enoxy]ethoxy]ethoxy]ethoxy]ethyl]piperazine
SMILESC=C(COCCOCCOCCOCCN1CCNCC1)OC(C)(C)C
InChIInChI=1S/C19H38N2O5/c1-18(26-19(2,3)4)17-25-16-15-24-14-13-23-12-11-22-10-9-21-7-5-20-6-8-21/h20H,1,5-17H2,2-4H3
InChIKeyOIJNZEUEFHEXLK-UHFFFAOYSA-N
XLogP1.29
TPSA61.42 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds15
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.52
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N',N'-dimethyl-N-[2-[2-[2-[2-(2-methylprop-2-enoxy)ethoxy]ethoxy]ethoxy]ethyl]ethane-1,2-diamine
CID 163715916

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxy]prop-2-enoxy]ethoxy]ethoxy]ethoxy]ethyl]piperazine?
The IUPAC name of 1-[2-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxy]prop-2-enoxy]ethoxy]ethoxy]ethoxy]ethyl]piperazine (CID 166558068) is 1-[2-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxy]prop-2-enoxy]ethoxy]ethoxy]ethoxy]ethyl]piperazine.
What is the SMILES notation for 1-[2-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxy]prop-2-enoxy]ethoxy]ethoxy]ethoxy]ethyl]piperazine?
The canonical SMILES for 1-[2-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxy]prop-2-enoxy]ethoxy]ethoxy]ethoxy]ethyl]piperazine is C=C(COCCOCCOCCOCCN1CCNCC1)OC(C)(C)C.
What is the InChIKey of 1-[2-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxy]prop-2-enoxy]ethoxy]ethoxy]ethoxy]ethyl]piperazine?
The InChIKey is OIJNZEUEFHEXLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H38N2O5/c1-18(26-19(2,3)4)17-25-16-15-24-14-13-23-12-11-22-10-9-21-7-5-20-6-8-21/h20H,1,5-17H2,2-4H3.
What are the key properties of 1-[2-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxy]prop-2-enoxy]ethoxy]ethoxy]ethoxy]ethyl]piperazine?
1-[2-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxy]prop-2-enoxy]ethoxy]ethoxy]ethoxy]ethyl]piperazine has a molecular weight of 374.52 g/mol, XLogP of 1.29, 15 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxy]prop-2-enoxy]ethoxy]ethoxy]ethoxy]ethyl]piperazine is sourced from PubChem (CID 166558068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).