2-[2-[2-[2-[2-[2-(3-butylpiperidin-1-yl)-2-methoxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol

C22H45NO7 — CID 66832250

IUPAC2-[2-[2-[2-[2-[2-(3-butylpiperidin-1-yl)-2-methoxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
SMILESCCCCC1CCCN(C(COCCOCCOCCOCCOCCO)OC)C1
InChIInChI=1S/C22H45NO7/c1-3-4-6-21-7-5-8-23(19-21)22(25-2)20-30-18-17-29-16-15-28-14-13-27-12-11-26-10-9-24/h21-22,24H,3-20H2,1-2H3
InChIKeyRQMBBLKCQBGGMM-UHFFFAOYSA-N
MW435.60 g/mol
LogP1.94
Rot. Bonds21

About 2-[2-[2-[2-[2-[2-(3-butylpiperidin-1-yl)-2-methoxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol

2-[2-[2-[2-[2-[2-(3-butylpiperidin-1-yl)-2-methoxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol (PubChem CID 66832250) has the molecular formula C22H45NO7 and a molecular weight of 435.60 g/mol. Its IUPAC name is 2-[2-[2-[2-[2-[2-(3-butylpiperidin-1-yl)-2-methoxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-[2-[2-[2-[2-(3-butylpiperidin-1-yl)-2-methoxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
PubChem CID66832250
Molecular FormulaC22H45NO7
Molecular Weight435.60 g/mol
Exact Mass435.32
IUPAC Name2-[2-[2-[2-[2-[2-(3-butylpiperidin-1-yl)-2-methoxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
SMILESCCCCC1CCCN(C(COCCOCCOCCOCCOCCO)OC)C1
InChIInChI=1S/C22H45NO7/c1-3-4-6-21-7-5-8-23(19-21)22(25-2)20-30-18-17-29-16-15-28-14-13-27-12-11-26-10-9-24/h21-22,24H,3-20H2,1-2H3
InChIKeyRQMBBLKCQBGGMM-UHFFFAOYSA-N
XLogP1.94
TPSA78.85 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds21
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.60
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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-[2-[2-[2-[2-(3-butylpiperidin-1-yl)-2-methoxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol?
The IUPAC name of 2-[2-[2-[2-[2-[2-(3-butylpiperidin-1-yl)-2-methoxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol (CID 66832250) is 2-[2-[2-[2-[2-[2-(3-butylpiperidin-1-yl)-2-methoxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol.
What is the SMILES notation for 2-[2-[2-[2-[2-[2-(3-butylpiperidin-1-yl)-2-methoxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol?
The canonical SMILES for 2-[2-[2-[2-[2-[2-(3-butylpiperidin-1-yl)-2-methoxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol is CCCCC1CCCN(C(COCCOCCOCCOCCOCCO)OC)C1.
What is the InChIKey of 2-[2-[2-[2-[2-[2-(3-butylpiperidin-1-yl)-2-methoxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol?
The InChIKey is RQMBBLKCQBGGMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H45NO7/c1-3-4-6-21-7-5-8-23(19-21)22(25-2)20-30-18-17-29-16-15-28-14-13-27-12-11-26-10-9-24/h21-22,24H,3-20H2,1-2H3.
What are the key properties of 2-[2-[2-[2-[2-[2-(3-butylpiperidin-1-yl)-2-methoxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol?
2-[2-[2-[2-[2-[2-(3-butylpiperidin-1-yl)-2-methoxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol has a molecular weight of 435.60 g/mol, XLogP of 1.94, 21 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[2-[2-[2-(3-butylpiperidin-1-yl)-2-methoxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol is sourced from PubChem (CID 66832250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).