1,4-dimethylpiperidine;3-[2-[2-[2-[2-[2-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanal;ethane

C32H60N2O11 — CID 145076605

IUPAC1,4-dimethylpiperidine;3-[2-[2-[2-[2-[2-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanal;ethane
SMILESCC.CC1CCN(C)CC1.O=CCCOCCOCCOCCOCCOCCOCCOCCOCCN1C(=O)C=CC1=O
InChIInChI=1S/C23H39NO11.C7H15N.C2H6/c25-5-1-6-28-8-10-30-12-14-32-16-18-34-20-21-35-19-17-33-15-13-31-11-9-29-7-4-24-22(26)2-3-23(24)27;1-7-3-5-8(2)6-4-7;1-2/h2-3,5H,1,4,6-21H2;7H,3-6H2,1-2H3;1-2H3
InChIKeyIICWAYOJUKBJHE-UHFFFAOYSA-N
MW648.84 g/mol
LogP2.01
Rot. Bonds27

About 1,4-dimethylpiperidine;3-[2-[2-[2-[2-[2-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanal;ethane

1,4-dimethylpiperidine;3-[2-[2-[2-[2-[2-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanal;ethane (PubChem CID 145076605) has the molecular formula C32H60N2O11 and a molecular weight of 648.84 g/mol. Its IUPAC name is 1,4-dimethylpiperidine;3-[2-[2-[2-[2-[2-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanal;ethane.

Molecular Properties

Compound Name1,4-dimethylpiperidine;3-[2-[2-[2-[2-[2-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanal;ethane
PubChem CID145076605
Molecular FormulaC32H60N2O11
Molecular Weight648.84 g/mol
Exact Mass648.42
IUPAC Name1,4-dimethylpiperidine;3-[2-[2-[2-[2-[2-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanal;ethane
SMILESCC.CC1CCN(C)CC1.O=CCCOCCOCCOCCOCCOCCOCCOCCOCCN1C(=O)C=CC1=O
InChIInChI=1S/C23H39NO11.C7H15N.C2H6/c25-5-1-6-28-8-10-30-12-14-32-16-18-34-20-21-35-19-17-33-15-13-31-11-9-29-7-4-24-22(26)2-3-23(24)27;1-7-3-5-8(2)6-4-7;1-2/h2-3,5H,1,4,6-21H2;7H,3-6H2,1-2H3;1-2H3
InChIKeyIICWAYOJUKBJHE-UHFFFAOYSA-N
XLogP2.01
TPSA131.53 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds27
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500648.84
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,4-dimethylpiperidine;3-[2-[2-[2-[2-[2-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanal;ethane?
The IUPAC name of 1,4-dimethylpiperidine;3-[2-[2-[2-[2-[2-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanal;ethane (CID 145076605) is 1,4-dimethylpiperidine;3-[2-[2-[2-[2-[2-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanal;ethane.
What is the SMILES notation for 1,4-dimethylpiperidine;3-[2-[2-[2-[2-[2-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanal;ethane?
The canonical SMILES for 1,4-dimethylpiperidine;3-[2-[2-[2-[2-[2-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanal;ethane is CC.CC1CCN(C)CC1.O=CCCOCCOCCOCCOCCOCCOCCOCCOCCN1C(=O)C=CC1=O.
What is the InChIKey of 1,4-dimethylpiperidine;3-[2-[2-[2-[2-[2-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanal;ethane?
The InChIKey is IICWAYOJUKBJHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H39NO11.C7H15N.C2H6/c25-5-1-6-28-8-10-30-12-14-32-16-18-34-20-21-35-19-17-33-15-13-31-11-9-29-7-4-24-22(26)2-3-23(24)27;1-7-3-5-8(2)6-4-7;1-2/h2-3,5H,1,4,6-21H2;7H,3-6H2,1-2H3;1-2H3.
What are the key properties of 1,4-dimethylpiperidine;3-[2-[2-[2-[2-[2-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanal;ethane?
1,4-dimethylpiperidine;3-[2-[2-[2-[2-[2-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanal;ethane has a molecular weight of 648.84 g/mol, XLogP of 2.01, 27 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethylpiperidine;3-[2-[2-[2-[2-[2-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanal;ethane is sourced from PubChem (CID 145076605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).