4-[2,4-dimethyl-3-(2-piperazin-1-ylpropan-2-yl)hex-3-en-2-yl]morpholine

C19H37N3O — CID 70025749

IUPAC4-[2,4-dimethyl-3-(2-piperazin-1-ylpropan-2-yl)hex-3-en-2-yl]morpholine
SMILESCCC(C)=C(C(C)(C)N1CCNCC1)C(C)(C)N1CCOCC1
InChIInChI=1S/C19H37N3O/c1-7-16(2)17(18(3,4)21-10-8-20-9-11-21)19(5,6)22-12-14-23-15-13-22/h20H,7-15H2,1-6H3
InChIKeyFTYLEIXZHLKKLG-UHFFFAOYSA-N
MW323.53 g/mol
LogP2.51
Rot. Bonds5

About 4-[2,4-dimethyl-3-(2-piperazin-1-ylpropan-2-yl)hex-3-en-2-yl]morpholine

4-[2,4-dimethyl-3-(2-piperazin-1-ylpropan-2-yl)hex-3-en-2-yl]morpholine (PubChem CID 70025749) has the molecular formula C19H37N3O and a molecular weight of 323.53 g/mol. Its IUPAC name is 4-[2,4-dimethyl-3-(2-piperazin-1-ylpropan-2-yl)hex-3-en-2-yl]morpholine.

Molecular Properties

Compound Name4-[2,4-dimethyl-3-(2-piperazin-1-ylpropan-2-yl)hex-3-en-2-yl]morpholine
PubChem CID70025749
Molecular FormulaC19H37N3O
Molecular Weight323.53 g/mol
Exact Mass323.29
IUPAC Name4-[2,4-dimethyl-3-(2-piperazin-1-ylpropan-2-yl)hex-3-en-2-yl]morpholine
SMILESCCC(C)=C(C(C)(C)N1CCNCC1)C(C)(C)N1CCOCC1
InChIInChI=1S/C19H37N3O/c1-7-16(2)17(18(3,4)21-10-8-20-9-11-21)19(5,6)22-12-14-23-15-13-22/h20H,7-15H2,1-6H3
InChIKeyFTYLEIXZHLKKLG-UHFFFAOYSA-N
XLogP2.51
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.53
LogP ≤ 52.51
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-[2,4-dimethyl-3-(2-piperazin-1-ylpropan-2-yl)hex-3-en-2-yl]morpholine?
The IUPAC name of 4-[2,4-dimethyl-3-(2-piperazin-1-ylpropan-2-yl)hex-3-en-2-yl]morpholine (CID 70025749) is 4-[2,4-dimethyl-3-(2-piperazin-1-ylpropan-2-yl)hex-3-en-2-yl]morpholine.
What is the SMILES notation for 4-[2,4-dimethyl-3-(2-piperazin-1-ylpropan-2-yl)hex-3-en-2-yl]morpholine?
The canonical SMILES for 4-[2,4-dimethyl-3-(2-piperazin-1-ylpropan-2-yl)hex-3-en-2-yl]morpholine is CCC(C)=C(C(C)(C)N1CCNCC1)C(C)(C)N1CCOCC1.
What is the InChIKey of 4-[2,4-dimethyl-3-(2-piperazin-1-ylpropan-2-yl)hex-3-en-2-yl]morpholine?
The InChIKey is FTYLEIXZHLKKLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H37N3O/c1-7-16(2)17(18(3,4)21-10-8-20-9-11-21)19(5,6)22-12-14-23-15-13-22/h20H,7-15H2,1-6H3.
What are the key properties of 4-[2,4-dimethyl-3-(2-piperazin-1-ylpropan-2-yl)hex-3-en-2-yl]morpholine?
4-[2,4-dimethyl-3-(2-piperazin-1-ylpropan-2-yl)hex-3-en-2-yl]morpholine has a molecular weight of 323.53 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2,4-dimethyl-3-(2-piperazin-1-ylpropan-2-yl)hex-3-en-2-yl]morpholine is sourced from PubChem (CID 70025749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).