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

C16H31N3O — CID 70025727

IUPAC4-[(E)-2-methyl-3-(2-piperazin-1-ylethyl)pent-3-en-2-yl]morpholine
SMILESC/C=C(\CCN1CCNCC1)C(C)(C)N1CCOCC1
InChIInChI=1S/C16H31N3O/c1-4-15(5-8-18-9-6-17-7-10-18)16(2,3)19-11-13-20-14-12-19/h4,17H,5-14H2,1-3H3/b15-4+
InChIKeyFIYVITCIARNTPC-SYZQJQIISA-N
MW281.44 g/mol
LogP1.34
Rot. Bonds5

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

4-[(E)-2-methyl-3-(2-piperazin-1-ylethyl)pent-3-en-2-yl]morpholine (PubChem CID 70025727) has the molecular formula C16H31N3O and a molecular weight of 281.44 g/mol. Its IUPAC name is 4-[(E)-2-methyl-3-(2-piperazin-1-ylethyl)pent-3-en-2-yl]morpholine.

Molecular Properties

Compound Name4-[(E)-2-methyl-3-(2-piperazin-1-ylethyl)pent-3-en-2-yl]morpholine
PubChem CID70025727
Molecular FormulaC16H31N3O
Molecular Weight281.44 g/mol
Exact Mass281.25
IUPAC Name4-[(E)-2-methyl-3-(2-piperazin-1-ylethyl)pent-3-en-2-yl]morpholine
SMILESC/C=C(\CCN1CCNCC1)C(C)(C)N1CCOCC1
InChIInChI=1S/C16H31N3O/c1-4-15(5-8-18-9-6-17-7-10-18)16(2,3)19-11-13-20-14-12-19/h4,17H,5-14H2,1-3H3/b15-4+
InChIKeyFIYVITCIARNTPC-SYZQJQIISA-N
XLogP1.34
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
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-[(E)-2-methyl-3-(2-piperazin-1-ylethyl)pent-3-en-2-yl]morpholine?
The IUPAC name of 4-[(E)-2-methyl-3-(2-piperazin-1-ylethyl)pent-3-en-2-yl]morpholine (CID 70025727) is 4-[(E)-2-methyl-3-(2-piperazin-1-ylethyl)pent-3-en-2-yl]morpholine.
What is the SMILES notation for 4-[(E)-2-methyl-3-(2-piperazin-1-ylethyl)pent-3-en-2-yl]morpholine?
The canonical SMILES for 4-[(E)-2-methyl-3-(2-piperazin-1-ylethyl)pent-3-en-2-yl]morpholine is C/C=C(\CCN1CCNCC1)C(C)(C)N1CCOCC1.
What is the InChIKey of 4-[(E)-2-methyl-3-(2-piperazin-1-ylethyl)pent-3-en-2-yl]morpholine?
The InChIKey is FIYVITCIARNTPC-SYZQJQIISA-N. The full InChI is InChI=1S/C16H31N3O/c1-4-15(5-8-18-9-6-17-7-10-18)16(2,3)19-11-13-20-14-12-19/h4,17H,5-14H2,1-3H3/b15-4+.
What are the key properties of 4-[(E)-2-methyl-3-(2-piperazin-1-ylethyl)pent-3-en-2-yl]morpholine?
4-[(E)-2-methyl-3-(2-piperazin-1-ylethyl)pent-3-en-2-yl]morpholine has a molecular weight of 281.44 g/mol, XLogP of 1.34, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-methyl-3-(2-piperazin-1-ylethyl)pent-3-en-2-yl]morpholine is sourced from PubChem (CID 70025727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).