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

C14H27N3O — CID 70025715

IUPAC4-[3-(piperazin-1-ylmethyl)pent-3-en-2-yl]morpholine
SMILESCC=C(CN1CCNCC1)C(C)N1CCOCC1
InChIInChI=1S/C14H27N3O/c1-3-14(12-16-6-4-15-5-7-16)13(2)17-8-10-18-11-9-17/h3,13,15H,4-12H2,1-2H3
InChIKeyNKSFBYAYMXRENQ-UHFFFAOYSA-N
MW253.39 g/mol
LogP0.56
Rot. Bonds4

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

4-[3-(piperazin-1-ylmethyl)pent-3-en-2-yl]morpholine (PubChem CID 70025715) has the molecular formula C14H27N3O and a molecular weight of 253.39 g/mol. Its IUPAC name is 4-[3-(piperazin-1-ylmethyl)pent-3-en-2-yl]morpholine.

Molecular Properties

Compound Name4-[3-(piperazin-1-ylmethyl)pent-3-en-2-yl]morpholine
PubChem CID70025715
Molecular FormulaC14H27N3O
Molecular Weight253.39 g/mol
Exact Mass253.22
IUPAC Name4-[3-(piperazin-1-ylmethyl)pent-3-en-2-yl]morpholine
SMILESCC=C(CN1CCNCC1)C(C)N1CCOCC1
InChIInChI=1S/C14H27N3O/c1-3-14(12-16-6-4-15-5-7-16)13(2)17-8-10-18-11-9-17/h3,13,15H,4-12H2,1-2H3
InChIKeyNKSFBYAYMXRENQ-UHFFFAOYSA-N
XLogP0.56
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 50.56
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-[3-(piperazin-1-ylmethyl)pent-3-en-2-yl]morpholine?
The IUPAC name of 4-[3-(piperazin-1-ylmethyl)pent-3-en-2-yl]morpholine (CID 70025715) is 4-[3-(piperazin-1-ylmethyl)pent-3-en-2-yl]morpholine.
What is the SMILES notation for 4-[3-(piperazin-1-ylmethyl)pent-3-en-2-yl]morpholine?
The canonical SMILES for 4-[3-(piperazin-1-ylmethyl)pent-3-en-2-yl]morpholine is CC=C(CN1CCNCC1)C(C)N1CCOCC1.
What is the InChIKey of 4-[3-(piperazin-1-ylmethyl)pent-3-en-2-yl]morpholine?
The InChIKey is NKSFBYAYMXRENQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O/c1-3-14(12-16-6-4-15-5-7-16)13(2)17-8-10-18-11-9-17/h3,13,15H,4-12H2,1-2H3.
What are the key properties of 4-[3-(piperazin-1-ylmethyl)pent-3-en-2-yl]morpholine?
4-[3-(piperazin-1-ylmethyl)pent-3-en-2-yl]morpholine has a molecular weight of 253.39 g/mol, XLogP of 0.56, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(piperazin-1-ylmethyl)pent-3-en-2-yl]morpholine is sourced from PubChem (CID 70025715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).