1-(4-methylpiperidin-1-yl)-2-[2-[2-(4-propan-2-ylpiperazin-1-yl)ethoxy]ethoxy]ethanol

C19H39N3O3 — CID 176984532

IUPAC1-(4-methylpiperidin-1-yl)-2-[2-[2-(4-propan-2-ylpiperazin-1-yl)ethoxy]ethoxy]ethanol
SMILESCC1CCN(C(O)COCCOCCN2CCN(C(C)C)CC2)CC1
InChIInChI=1S/C19H39N3O3/c1-17(2)21-10-8-20(9-11-21)12-13-24-14-15-25-16-19(23)22-6-4-18(3)5-7-22/h17-19,23H,4-16H2,1-3H3
InChIKeyHKNRWNOYDRKGBR-UHFFFAOYSA-N
MW357.54 g/mol
LogP1.10
Rot. Bonds10

About 1-(4-methylpiperidin-1-yl)-2-[2-[2-(4-propan-2-ylpiperazin-1-yl)ethoxy]ethoxy]ethanol

1-(4-methylpiperidin-1-yl)-2-[2-[2-(4-propan-2-ylpiperazin-1-yl)ethoxy]ethoxy]ethanol (PubChem CID 176984532) has the molecular formula C19H39N3O3 and a molecular weight of 357.54 g/mol. Its IUPAC name is 1-(4-methylpiperidin-1-yl)-2-[2-[2-(4-propan-2-ylpiperazin-1-yl)ethoxy]ethoxy]ethanol.

Molecular Properties

Compound Name1-(4-methylpiperidin-1-yl)-2-[2-[2-(4-propan-2-ylpiperazin-1-yl)ethoxy]ethoxy]ethanol
PubChem CID176984532
Molecular FormulaC19H39N3O3
Molecular Weight357.54 g/mol
Exact Mass357.30
IUPAC Name1-(4-methylpiperidin-1-yl)-2-[2-[2-(4-propan-2-ylpiperazin-1-yl)ethoxy]ethoxy]ethanol
SMILESCC1CCN(C(O)COCCOCCN2CCN(C(C)C)CC2)CC1
InChIInChI=1S/C19H39N3O3/c1-17(2)21-10-8-20(9-11-21)12-13-24-14-15-25-16-19(23)22-6-4-18(3)5-7-22/h17-19,23H,4-16H2,1-3H3
InChIKeyHKNRWNOYDRKGBR-UHFFFAOYSA-N
XLogP1.10
TPSA48.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.54
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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 1-(4-methylpiperidin-1-yl)-2-[2-[2-(4-propan-2-ylpiperazin-1-yl)ethoxy]ethoxy]ethanol?
The IUPAC name of 1-(4-methylpiperidin-1-yl)-2-[2-[2-(4-propan-2-ylpiperazin-1-yl)ethoxy]ethoxy]ethanol (CID 176984532) is 1-(4-methylpiperidin-1-yl)-2-[2-[2-(4-propan-2-ylpiperazin-1-yl)ethoxy]ethoxy]ethanol.
What is the SMILES notation for 1-(4-methylpiperidin-1-yl)-2-[2-[2-(4-propan-2-ylpiperazin-1-yl)ethoxy]ethoxy]ethanol?
The canonical SMILES for 1-(4-methylpiperidin-1-yl)-2-[2-[2-(4-propan-2-ylpiperazin-1-yl)ethoxy]ethoxy]ethanol is CC1CCN(C(O)COCCOCCN2CCN(C(C)C)CC2)CC1.
What is the InChIKey of 1-(4-methylpiperidin-1-yl)-2-[2-[2-(4-propan-2-ylpiperazin-1-yl)ethoxy]ethoxy]ethanol?
The InChIKey is HKNRWNOYDRKGBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H39N3O3/c1-17(2)21-10-8-20(9-11-21)12-13-24-14-15-25-16-19(23)22-6-4-18(3)5-7-22/h17-19,23H,4-16H2,1-3H3.
What are the key properties of 1-(4-methylpiperidin-1-yl)-2-[2-[2-(4-propan-2-ylpiperazin-1-yl)ethoxy]ethoxy]ethanol?
1-(4-methylpiperidin-1-yl)-2-[2-[2-(4-propan-2-ylpiperazin-1-yl)ethoxy]ethoxy]ethanol has a molecular weight of 357.54 g/mol, XLogP of 1.10, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylpiperidin-1-yl)-2-[2-[2-(4-propan-2-ylpiperazin-1-yl)ethoxy]ethoxy]ethanol is sourced from PubChem (CID 176984532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).