2-[2-[(1-methyl-4-prop-2-enylpiperidin-4-yl)amino]ethoxy]ethanol

C13H26N2O2 — CID 4712286

IUPAC2-[2-[(1-methyl-4-prop-2-enylpiperidin-4-yl)amino]ethoxy]ethanol
SMILESC=CCC1(NCCOCCO)CCN(C)CC1
InChIInChI=1S/C13H26N2O2/c1-3-4-13(5-8-15(2)9-6-13)14-7-11-17-12-10-16/h3,14,16H,1,4-12H2,2H3
InChIKeyHEVXBTXAFBWJLV-UHFFFAOYSA-N
MW242.36 g/mol
LogP0.63
Rot. Bonds8

About 2-[2-[(1-methyl-4-prop-2-enylpiperidin-4-yl)amino]ethoxy]ethanol

2-[2-[(1-methyl-4-prop-2-enylpiperidin-4-yl)amino]ethoxy]ethanol (PubChem CID 4712286) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is 2-[2-[(1-methyl-4-prop-2-enylpiperidin-4-yl)amino]ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-[(1-methyl-4-prop-2-enylpiperidin-4-yl)amino]ethoxy]ethanol
PubChem CID4712286
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Name2-[2-[(1-methyl-4-prop-2-enylpiperidin-4-yl)amino]ethoxy]ethanol
SMILESC=CCC1(NCCOCCO)CCN(C)CC1
InChIInChI=1S/C13H26N2O2/c1-3-4-13(5-8-15(2)9-6-13)14-7-11-17-12-10-16/h3,14,16H,1,4-12H2,2H3
InChIKeyHEVXBTXAFBWJLV-UHFFFAOYSA-N
XLogP0.63
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[(1-methyl-4-prop-2-enylpiperidin-4-yl)amino]ethoxy]ethanol?
The IUPAC name of 2-[2-[(1-methyl-4-prop-2-enylpiperidin-4-yl)amino]ethoxy]ethanol (CID 4712286) is 2-[2-[(1-methyl-4-prop-2-enylpiperidin-4-yl)amino]ethoxy]ethanol.
What is the SMILES notation for 2-[2-[(1-methyl-4-prop-2-enylpiperidin-4-yl)amino]ethoxy]ethanol?
The canonical SMILES for 2-[2-[(1-methyl-4-prop-2-enylpiperidin-4-yl)amino]ethoxy]ethanol is C=CCC1(NCCOCCO)CCN(C)CC1.
What is the InChIKey of 2-[2-[(1-methyl-4-prop-2-enylpiperidin-4-yl)amino]ethoxy]ethanol?
The InChIKey is HEVXBTXAFBWJLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-3-4-13(5-8-15(2)9-6-13)14-7-11-17-12-10-16/h3,14,16H,1,4-12H2,2H3.
What are the key properties of 2-[2-[(1-methyl-4-prop-2-enylpiperidin-4-yl)amino]ethoxy]ethanol?
2-[2-[(1-methyl-4-prop-2-enylpiperidin-4-yl)amino]ethoxy]ethanol has a molecular weight of 242.36 g/mol, XLogP of 0.63, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(1-methyl-4-prop-2-enylpiperidin-4-yl)amino]ethoxy]ethanol is sourced from PubChem (CID 4712286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).