2-[2-hydroxyethyl(propyl)amino]-1-(3-methylpiperidin-1-yl)ethanone

C13H26N2O2 — CID 56828380

IUPAC2-[2-hydroxyethyl(propyl)amino]-1-(3-methylpiperidin-1-yl)ethanone
SMILESCCCN(CCO)CC(=O)N1CCCC(C)C1
InChIInChI=1S/C13H26N2O2/c1-3-6-14(8-9-16)11-13(17)15-7-4-5-12(2)10-15/h12,16H,3-11H2,1-2H3
InChIKeyGTTJEIJRDBHTPG-UHFFFAOYSA-N
MW242.36 g/mol
LogP0.95
Rot. Bonds6

About 2-[2-hydroxyethyl(propyl)amino]-1-(3-methylpiperidin-1-yl)ethanone

2-[2-hydroxyethyl(propyl)amino]-1-(3-methylpiperidin-1-yl)ethanone (PubChem CID 56828380) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is 2-[2-hydroxyethyl(propyl)amino]-1-(3-methylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-[2-hydroxyethyl(propyl)amino]-1-(3-methylpiperidin-1-yl)ethanone
PubChem CID56828380
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Name2-[2-hydroxyethyl(propyl)amino]-1-(3-methylpiperidin-1-yl)ethanone
SMILESCCCN(CCO)CC(=O)N1CCCC(C)C1
InChIInChI=1S/C13H26N2O2/c1-3-6-14(8-9-16)11-13(17)15-7-4-5-12(2)10-15/h12,16H,3-11H2,1-2H3
InChIKeyGTTJEIJRDBHTPG-UHFFFAOYSA-N
XLogP0.95
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-hydroxyethyl(propyl)amino]-1-(3-methylpiperidin-1-yl)ethanone?
The IUPAC name of 2-[2-hydroxyethyl(propyl)amino]-1-(3-methylpiperidin-1-yl)ethanone (CID 56828380) is 2-[2-hydroxyethyl(propyl)amino]-1-(3-methylpiperidin-1-yl)ethanone.
What is the SMILES notation for 2-[2-hydroxyethyl(propyl)amino]-1-(3-methylpiperidin-1-yl)ethanone?
The canonical SMILES for 2-[2-hydroxyethyl(propyl)amino]-1-(3-methylpiperidin-1-yl)ethanone is CCCN(CCO)CC(=O)N1CCCC(C)C1.
What is the InChIKey of 2-[2-hydroxyethyl(propyl)amino]-1-(3-methylpiperidin-1-yl)ethanone?
The InChIKey is GTTJEIJRDBHTPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-3-6-14(8-9-16)11-13(17)15-7-4-5-12(2)10-15/h12,16H,3-11H2,1-2H3.
What are the key properties of 2-[2-hydroxyethyl(propyl)amino]-1-(3-methylpiperidin-1-yl)ethanone?
2-[2-hydroxyethyl(propyl)amino]-1-(3-methylpiperidin-1-yl)ethanone has a molecular weight of 242.36 g/mol, XLogP of 0.95, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-hydroxyethyl(propyl)amino]-1-(3-methylpiperidin-1-yl)ethanone is sourced from PubChem (CID 56828380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).