2-[2-hydroxyethyl(1,2,3,6-tetrahydropyridin-2-ylmethyl)amino]ethanol

C10H20N2O2 — CID 3461554

IUPAC2-[2-hydroxyethyl(1,2,3,6-tetrahydropyridin-2-ylmethyl)amino]ethanol
SMILESOCCN(CCO)CC1CC=CCN1
InChIInChI=1S/C10H20N2O2/c13-7-5-12(6-8-14)9-10-3-1-2-4-11-10/h1-2,10-11,13-14H,3-9H2
InChIKeyHKAHEHMJDAHXSG-UHFFFAOYSA-N
MW200.28 g/mol
LogP-0.81
Rot. Bonds6

About 2-[2-hydroxyethyl(1,2,3,6-tetrahydropyridin-2-ylmethyl)amino]ethanol

2-[2-hydroxyethyl(1,2,3,6-tetrahydropyridin-2-ylmethyl)amino]ethanol (PubChem CID 3461554) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is 2-[2-hydroxyethyl(1,2,3,6-tetrahydropyridin-2-ylmethyl)amino]ethanol.

Molecular Properties

Compound Name2-[2-hydroxyethyl(1,2,3,6-tetrahydropyridin-2-ylmethyl)amino]ethanol
PubChem CID3461554
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC Name2-[2-hydroxyethyl(1,2,3,6-tetrahydropyridin-2-ylmethyl)amino]ethanol
SMILESOCCN(CCO)CC1CC=CCN1
InChIInChI=1S/C10H20N2O2/c13-7-5-12(6-8-14)9-10-3-1-2-4-11-10/h1-2,10-11,13-14H,3-9H2
InChIKeyHKAHEHMJDAHXSG-UHFFFAOYSA-N
XLogP-0.81
TPSA55.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 5-0.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-hydroxyethyl(1,2,3,6-tetrahydropyridin-2-ylmethyl)amino]ethanol?
The IUPAC name of 2-[2-hydroxyethyl(1,2,3,6-tetrahydropyridin-2-ylmethyl)amino]ethanol (CID 3461554) is 2-[2-hydroxyethyl(1,2,3,6-tetrahydropyridin-2-ylmethyl)amino]ethanol.
What is the SMILES notation for 2-[2-hydroxyethyl(1,2,3,6-tetrahydropyridin-2-ylmethyl)amino]ethanol?
The canonical SMILES for 2-[2-hydroxyethyl(1,2,3,6-tetrahydropyridin-2-ylmethyl)amino]ethanol is OCCN(CCO)CC1CC=CCN1.
What is the InChIKey of 2-[2-hydroxyethyl(1,2,3,6-tetrahydropyridin-2-ylmethyl)amino]ethanol?
The InChIKey is HKAHEHMJDAHXSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2/c13-7-5-12(6-8-14)9-10-3-1-2-4-11-10/h1-2,10-11,13-14H,3-9H2.
What are the key properties of 2-[2-hydroxyethyl(1,2,3,6-tetrahydropyridin-2-ylmethyl)amino]ethanol?
2-[2-hydroxyethyl(1,2,3,6-tetrahydropyridin-2-ylmethyl)amino]ethanol has a molecular weight of 200.28 g/mol, XLogP of -0.81, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-hydroxyethyl(1,2,3,6-tetrahydropyridin-2-ylmethyl)amino]ethanol is sourced from PubChem (CID 3461554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).