4-[2-(piperazin-1-ylmethyl)prop-2-enyl]morpholine

C12H23N3O — CID 18547057

IUPAC4-[2-(piperazin-1-ylmethyl)prop-2-enyl]morpholine
SMILESC=C(CN1CCNCC1)CN1CCOCC1
InChIInChI=1S/C12H23N3O/c1-12(10-14-4-2-13-3-5-14)11-15-6-8-16-9-7-15/h13H,1-11H2
InChIKeyBVOPLZXHYPOOEF-UHFFFAOYSA-N
MW225.34 g/mol
LogP-0.22
Rot. Bonds4

About 4-[2-(piperazin-1-ylmethyl)prop-2-enyl]morpholine

4-[2-(piperazin-1-ylmethyl)prop-2-enyl]morpholine (PubChem CID 18547057) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is 4-[2-(piperazin-1-ylmethyl)prop-2-enyl]morpholine.

Molecular Properties

Compound Name4-[2-(piperazin-1-ylmethyl)prop-2-enyl]morpholine
PubChem CID18547057
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC Name4-[2-(piperazin-1-ylmethyl)prop-2-enyl]morpholine
SMILESC=C(CN1CCNCC1)CN1CCOCC1
InChIInChI=1S/C12H23N3O/c1-12(10-14-4-2-13-3-5-14)11-15-6-8-16-9-7-15/h13H,1-11H2
InChIKeyBVOPLZXHYPOOEF-UHFFFAOYSA-N
XLogP-0.22
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 5-0.22
H-Bond Donors ≤ 51
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 4-[2-(piperazin-1-ylmethyl)prop-2-enyl]morpholine?
The IUPAC name of 4-[2-(piperazin-1-ylmethyl)prop-2-enyl]morpholine (CID 18547057) is 4-[2-(piperazin-1-ylmethyl)prop-2-enyl]morpholine.
What is the SMILES notation for 4-[2-(piperazin-1-ylmethyl)prop-2-enyl]morpholine?
The canonical SMILES for 4-[2-(piperazin-1-ylmethyl)prop-2-enyl]morpholine is C=C(CN1CCNCC1)CN1CCOCC1.
What is the InChIKey of 4-[2-(piperazin-1-ylmethyl)prop-2-enyl]morpholine?
The InChIKey is BVOPLZXHYPOOEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O/c1-12(10-14-4-2-13-3-5-14)11-15-6-8-16-9-7-15/h13H,1-11H2.
What are the key properties of 4-[2-(piperazin-1-ylmethyl)prop-2-enyl]morpholine?
4-[2-(piperazin-1-ylmethyl)prop-2-enyl]morpholine has a molecular weight of 225.34 g/mol, XLogP of -0.22, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(piperazin-1-ylmethyl)prop-2-enyl]morpholine is sourced from PubChem (CID 18547057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).