2-(piperazin-1-ylmethyl)-4-propan-2-ylmorpholine

C12H25N3O — CID 54592597

IUPAC2-(piperazin-1-ylmethyl)-4-propan-2-ylmorpholine
SMILESCC(C)N1CCOC(CN2CCNCC2)C1
InChIInChI=1S/C12H25N3O/c1-11(2)15-7-8-16-12(10-15)9-14-5-3-13-4-6-14/h11-13H,3-10H2,1-2H3
InChIKeyALTPGGUBKWRYOA-UHFFFAOYSA-N
MW227.35 g/mol
LogP0.00
Rot. Bonds3

About 2-(piperazin-1-ylmethyl)-4-propan-2-ylmorpholine

2-(piperazin-1-ylmethyl)-4-propan-2-ylmorpholine (PubChem CID 54592597) has the molecular formula C12H25N3O and a molecular weight of 227.35 g/mol. Its IUPAC name is 2-(piperazin-1-ylmethyl)-4-propan-2-ylmorpholine.

Molecular Properties

Compound Name2-(piperazin-1-ylmethyl)-4-propan-2-ylmorpholine
PubChem CID54592597
Molecular FormulaC12H25N3O
Molecular Weight227.35 g/mol
Exact Mass227.20
IUPAC Name2-(piperazin-1-ylmethyl)-4-propan-2-ylmorpholine
SMILESCC(C)N1CCOC(CN2CCNCC2)C1
InChIInChI=1S/C12H25N3O/c1-11(2)15-7-8-16-12(10-15)9-14-5-3-13-4-6-14/h11-13H,3-10H2,1-2H3
InChIKeyALTPGGUBKWRYOA-UHFFFAOYSA-N
XLogP0.00
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 50.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(piperazin-1-ylmethyl)-4-propan-2-ylmorpholine?
The IUPAC name of 2-(piperazin-1-ylmethyl)-4-propan-2-ylmorpholine (CID 54592597) is 2-(piperazin-1-ylmethyl)-4-propan-2-ylmorpholine.
What is the SMILES notation for 2-(piperazin-1-ylmethyl)-4-propan-2-ylmorpholine?
The canonical SMILES for 2-(piperazin-1-ylmethyl)-4-propan-2-ylmorpholine is CC(C)N1CCOC(CN2CCNCC2)C1.
What is the InChIKey of 2-(piperazin-1-ylmethyl)-4-propan-2-ylmorpholine?
The InChIKey is ALTPGGUBKWRYOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O/c1-11(2)15-7-8-16-12(10-15)9-14-5-3-13-4-6-14/h11-13H,3-10H2,1-2H3.
What are the key properties of 2-(piperazin-1-ylmethyl)-4-propan-2-ylmorpholine?
2-(piperazin-1-ylmethyl)-4-propan-2-ylmorpholine has a molecular weight of 227.35 g/mol, XLogP of 0.00, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(piperazin-1-ylmethyl)-4-propan-2-ylmorpholine is sourced from PubChem (CID 54592597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).