1-ethoxy-3-piperazin-1-ylpropan-2-olate

C9H19N2O2- — CID 59029919

IUPAC1-ethoxy-3-piperazin-1-ylpropan-2-olate
SMILESCCOCC([O-])CN1CCNCC1
InChIInChI=1S/C9H19N2O2/c1-2-13-8-9(12)7-11-5-3-10-4-6-11/h9-10H,2-8H2,1H3/q-1
InChIKeyAYPDXQJGIRZUTG-UHFFFAOYSA-N
MW187.26 g/mol
LogP-1.34
Rot. Bonds5

About 1-ethoxy-3-piperazin-1-ylpropan-2-olate

1-ethoxy-3-piperazin-1-ylpropan-2-olate (PubChem CID 59029919) has the molecular formula C9H19N2O2- and a molecular weight of 187.26 g/mol. Its IUPAC name is 1-ethoxy-3-piperazin-1-ylpropan-2-olate.

Molecular Properties

Compound Name1-ethoxy-3-piperazin-1-ylpropan-2-olate
PubChem CID59029919
Molecular FormulaC9H19N2O2-
Molecular Weight187.26 g/mol
Exact Mass187.15
IUPAC Name1-ethoxy-3-piperazin-1-ylpropan-2-olate
SMILESCCOCC([O-])CN1CCNCC1
InChIInChI=1S/C9H19N2O2/c1-2-13-8-9(12)7-11-5-3-10-4-6-11/h9-10H,2-8H2,1H3/q-1
InChIKeyAYPDXQJGIRZUTG-UHFFFAOYSA-N
XLogP-1.34
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.26
LogP ≤ 5-1.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(Methoxymethyl)morpholine
CID 14933202
2-((Propan-2-yloxy)methyl)morpholine
CID 58303653
1-Isopropoxy-3-(1-piperazinyl)-2-propanol
CID 11957136
2-(2,6-Dimethylmorpholin-4-yl)ethanamine
CID 2756423
2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]ethan-1-amine
CID 7144968
2-(2-Methylmorpholin-4-yl)ethan-1-amine
CID 16794871
1-(2-(Propan-2-yloxy)ethyl)piperazine
CID 18525344
1-(2-(2-(2-Methoxyethoxy)ethoxy)ethyl)piperazine
CID 22011784
2-(Methoxymethyl)-6-methylmorpholine
CID 63929596
6-(Methoxymethyl)-2,2-dimethylmorpholine
CID 65102270
Dimethyl(2-(morpholin-2-yl)ethyl)amine
CID 66427711
1-Isopropoxy-3-piperazin-1-yl-propan-2-ol
CID 3163524

Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-3-piperazin-1-ylpropan-2-olate?
The IUPAC name of 1-ethoxy-3-piperazin-1-ylpropan-2-olate (CID 59029919) is 1-ethoxy-3-piperazin-1-ylpropan-2-olate.
What is the SMILES notation for 1-ethoxy-3-piperazin-1-ylpropan-2-olate?
The canonical SMILES for 1-ethoxy-3-piperazin-1-ylpropan-2-olate is CCOCC([O-])CN1CCNCC1.
What is the InChIKey of 1-ethoxy-3-piperazin-1-ylpropan-2-olate?
The InChIKey is AYPDXQJGIRZUTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N2O2/c1-2-13-8-9(12)7-11-5-3-10-4-6-11/h9-10H,2-8H2,1H3/q-1.
What are the key properties of 1-ethoxy-3-piperazin-1-ylpropan-2-olate?
1-ethoxy-3-piperazin-1-ylpropan-2-olate has a molecular weight of 187.26 g/mol, XLogP of -1.34, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-3-piperazin-1-ylpropan-2-olate is sourced from PubChem (CID 59029919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).