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

C16H31N3O — CID 70025724

IUPAC4-[(E)-2-methyl-3-(1-piperazin-1-ylethyl)pent-3-en-2-yl]morpholine
SMILESC/C=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/b15-5+
InChIKeyBLXXKBZHNLDQBC-PJQLUOCWSA-N
MW281.44 g/mol
LogP1.34
Rot. Bonds4

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

4-[(E)-2-methyl-3-(1-piperazin-1-ylethyl)pent-3-en-2-yl]morpholine (PubChem CID 70025724) has the molecular formula C16H31N3O and a molecular weight of 281.44 g/mol. Its IUPAC name is 4-[(E)-2-methyl-3-(1-piperazin-1-ylethyl)pent-3-en-2-yl]morpholine.

Molecular Properties

Compound Name4-[(E)-2-methyl-3-(1-piperazin-1-ylethyl)pent-3-en-2-yl]morpholine
PubChem CID70025724
Molecular FormulaC16H31N3O
Molecular Weight281.44 g/mol
Exact Mass281.25
IUPAC Name4-[(E)-2-methyl-3-(1-piperazin-1-ylethyl)pent-3-en-2-yl]morpholine
SMILESC/C=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/b15-5+
InChIKeyBLXXKBZHNLDQBC-PJQLUOCWSA-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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Related Compounds

4-[(Z)-2,4-dimethyl-3-(2-piperazin-1-ylpropan-2-yl)hex-3-en-2-yl]morpholine
CID 18547124
4-[(Z)-2-methyl-3-(1-morpholin-4-ylethyl)pent-3-en-2-yl]morpholine
CID 18547129
4-[(E)-3-(1-imidazolidin-1-ylethyl)-2-methylpent-3-en-2-yl]morpholine
CID 18547138
4-[(Z)-3-(piperazin-1-ylmethyl)pent-3-en-2-yl]morpholine
CID 18547154
4-[3-(Piperazin-1-ylmethyl)pent-3-en-2-yl]morpholine
CID 70025715
4-[(E)-2-methyl-3-(2-piperazin-1-ylethyl)pent-3-en-2-yl]morpholine
CID 70025727
4-[2-Methyl-3-(1-piperazin-1-ylethyl)pent-3-en-2-yl]morpholine
CID 70025730
4-[2-Methyl-3-(2-piperazin-1-ylethyl)pent-3-en-2-yl]morpholine
CID 70025732
4-[2,4-Dimethyl-3-(2-piperazin-1-ylpropan-2-yl)hex-3-en-2-yl]morpholine
CID 70025749
4-[2-Methyl-3-(1-piperidin-1-ylethyl)pent-3-en-2-yl]morpholine
CID 70027016
4-[(E)-2-methyl-3-(1-morpholin-4-ylethyl)pent-3-en-2-yl]morpholine
CID 70027230
4-[2-Methyl-3-(1-morpholin-4-ylethyl)pent-3-en-2-yl]morpholine
CID 70027233

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-methyl-3-(1-piperazin-1-ylethyl)pent-3-en-2-yl]morpholine?
The IUPAC name of 4-[(E)-2-methyl-3-(1-piperazin-1-ylethyl)pent-3-en-2-yl]morpholine (CID 70025724) is 4-[(E)-2-methyl-3-(1-piperazin-1-ylethyl)pent-3-en-2-yl]morpholine.
What is the SMILES notation for 4-[(E)-2-methyl-3-(1-piperazin-1-ylethyl)pent-3-en-2-yl]morpholine?
The canonical SMILES for 4-[(E)-2-methyl-3-(1-piperazin-1-ylethyl)pent-3-en-2-yl]morpholine is C/C=C(\C(C)N1CCNCC1)C(C)(C)N1CCOCC1.
What is the InChIKey of 4-[(E)-2-methyl-3-(1-piperazin-1-ylethyl)pent-3-en-2-yl]morpholine?
The InChIKey is BLXXKBZHNLDQBC-PJQLUOCWSA-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/b15-5+.
What are the key properties of 4-[(E)-2-methyl-3-(1-piperazin-1-ylethyl)pent-3-en-2-yl]morpholine?
4-[(E)-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-[(E)-2-methyl-3-(1-piperazin-1-ylethyl)pent-3-en-2-yl]morpholine is sourced from PubChem (CID 70025724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).