4-[2-methyl-3-(1-piperazin-1-ylethyl)pent-3-en-2-yl]morpholine

C16H31N3O — CID 70025730

IUPAC4-[2-methyl-3-(1-piperazin-1-ylethyl)pent-3-en-2-yl]morpholine
SMILESCC=C(C(C)N1CCNCC1)C(C)(C)N1CCOCC1
InChIInChI=1S/C16H31N3O/c1-5-15(14(2)18-8-6-17-7-9-18)16(3,4)19-10-12-20-13-11-19/h5,14,17H,6-13H2,1-4H3
InChIKeyBLXXKBZHNLDQBC-UHFFFAOYSA-N
MW281.44 g/mol
LogP1.34
Rot. Bonds4

About 4-[2-methyl-3-(1-piperazin-1-ylethyl)pent-3-en-2-yl]morpholine

4-[2-methyl-3-(1-piperazin-1-ylethyl)pent-3-en-2-yl]morpholine (PubChem CID 70025730) has the molecular formula C16H31N3O and a molecular weight of 281.44 g/mol. Its IUPAC name is 4-[2-methyl-3-(1-piperazin-1-ylethyl)pent-3-en-2-yl]morpholine.

Molecular Properties

Compound Name4-[2-methyl-3-(1-piperazin-1-ylethyl)pent-3-en-2-yl]morpholine
PubChem CID70025730
Molecular FormulaC16H31N3O
Molecular Weight281.44 g/mol
Exact Mass281.25
IUPAC Name4-[2-methyl-3-(1-piperazin-1-ylethyl)pent-3-en-2-yl]morpholine
SMILESCC=C(C(C)N1CCNCC1)C(C)(C)N1CCOCC1
InChIInChI=1S/C16H31N3O/c1-5-15(14(2)18-8-6-17-7-9-18)16(3,4)19-10-12-20-13-11-19/h5,14,17H,6-13H2,1-4H3
InChIKeyBLXXKBZHNLDQBC-UHFFFAOYSA-N
XLogP1.34
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 51.34
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-methyl-3-(1-piperazin-1-ylethyl)pent-3-en-2-yl]morpholine?
The IUPAC name of 4-[2-methyl-3-(1-piperazin-1-ylethyl)pent-3-en-2-yl]morpholine (CID 70025730) is 4-[2-methyl-3-(1-piperazin-1-ylethyl)pent-3-en-2-yl]morpholine.
What is the SMILES notation for 4-[2-methyl-3-(1-piperazin-1-ylethyl)pent-3-en-2-yl]morpholine?
The canonical SMILES for 4-[2-methyl-3-(1-piperazin-1-ylethyl)pent-3-en-2-yl]morpholine is CC=C(C(C)N1CCNCC1)C(C)(C)N1CCOCC1.
What is the InChIKey of 4-[2-methyl-3-(1-piperazin-1-ylethyl)pent-3-en-2-yl]morpholine?
The InChIKey is BLXXKBZHNLDQBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O/c1-5-15(14(2)18-8-6-17-7-9-18)16(3,4)19-10-12-20-13-11-19/h5,14,17H,6-13H2,1-4H3.
What are the key properties of 4-[2-methyl-3-(1-piperazin-1-ylethyl)pent-3-en-2-yl]morpholine?
4-[2-methyl-3-(1-piperazin-1-ylethyl)pent-3-en-2-yl]morpholine has a molecular weight of 281.44 g/mol, XLogP of 1.34, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-methyl-3-(1-piperazin-1-ylethyl)pent-3-en-2-yl]morpholine is sourced from PubChem (CID 70025730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).