1-(5-ethyl-2-methylmorpholin-4-yl)-3-piperazin-1-ylpropan-2-ol

C14H29N3O2 — CID 65449437

IUPAC1-(5-ethyl-2-methylmorpholin-4-yl)-3-piperazin-1-ylpropan-2-ol
SMILESCCC1COC(C)CN1CC(O)CN1CCNCC1
InChIInChI=1S/C14H29N3O2/c1-3-13-11-19-12(2)8-17(13)10-14(18)9-16-6-4-15-5-7-16/h12-15,18H,3-11H2,1-2H3
InChIKeyBAPHZRXRFXTGEW-UHFFFAOYSA-N
MW271.40 g/mol
LogP-0.25
Rot. Bonds5

About 1-(5-ethyl-2-methylmorpholin-4-yl)-3-piperazin-1-ylpropan-2-ol

1-(5-ethyl-2-methylmorpholin-4-yl)-3-piperazin-1-ylpropan-2-ol (PubChem CID 65449437) has the molecular formula C14H29N3O2 and a molecular weight of 271.40 g/mol. Its IUPAC name is 1-(5-ethyl-2-methylmorpholin-4-yl)-3-piperazin-1-ylpropan-2-ol.

Molecular Properties

Compound Name1-(5-ethyl-2-methylmorpholin-4-yl)-3-piperazin-1-ylpropan-2-ol
PubChem CID65449437
Molecular FormulaC14H29N3O2
Molecular Weight271.40 g/mol
Exact Mass271.23
IUPAC Name1-(5-ethyl-2-methylmorpholin-4-yl)-3-piperazin-1-ylpropan-2-ol
SMILESCCC1COC(C)CN1CC(O)CN1CCNCC1
InChIInChI=1S/C14H29N3O2/c1-3-13-11-19-12(2)8-17(13)10-14(18)9-16-6-4-15-5-7-16/h12-15,18H,3-11H2,1-2H3
InChIKeyBAPHZRXRFXTGEW-UHFFFAOYSA-N
XLogP-0.25
TPSA47.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 5-0.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(5-ethyl-2-methylmorpholin-4-yl)-3-piperazin-1-ylpropan-2-ol?
The IUPAC name of 1-(5-ethyl-2-methylmorpholin-4-yl)-3-piperazin-1-ylpropan-2-ol (CID 65449437) is 1-(5-ethyl-2-methylmorpholin-4-yl)-3-piperazin-1-ylpropan-2-ol.
What is the SMILES notation for 1-(5-ethyl-2-methylmorpholin-4-yl)-3-piperazin-1-ylpropan-2-ol?
The canonical SMILES for 1-(5-ethyl-2-methylmorpholin-4-yl)-3-piperazin-1-ylpropan-2-ol is CCC1COC(C)CN1CC(O)CN1CCNCC1.
What is the InChIKey of 1-(5-ethyl-2-methylmorpholin-4-yl)-3-piperazin-1-ylpropan-2-ol?
The InChIKey is BAPHZRXRFXTGEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O2/c1-3-13-11-19-12(2)8-17(13)10-14(18)9-16-6-4-15-5-7-16/h12-15,18H,3-11H2,1-2H3.
What are the key properties of 1-(5-ethyl-2-methylmorpholin-4-yl)-3-piperazin-1-ylpropan-2-ol?
1-(5-ethyl-2-methylmorpholin-4-yl)-3-piperazin-1-ylpropan-2-ol has a molecular weight of 271.40 g/mol, XLogP of -0.25, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-ethyl-2-methylmorpholin-4-yl)-3-piperazin-1-ylpropan-2-ol is sourced from PubChem (CID 65449437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).