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

C17H32N2O — CID 70027018

IUPAC4-[2-methyl-3-(2-piperidin-1-ylethyl)pent-3-en-2-yl]morpholine
SMILESCC=C(CCN1CCCCC1)C(C)(C)N1CCOCC1
InChIInChI=1S/C17H32N2O/c1-4-16(8-11-18-9-6-5-7-10-18)17(2,3)19-12-14-20-15-13-19/h4H,5-15H2,1-3H3
InChIKeyDARYAEZZGKLXRD-UHFFFAOYSA-N
MW280.46 g/mol
LogP2.92
Rot. Bonds5

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

4-[2-methyl-3-(2-piperidin-1-ylethyl)pent-3-en-2-yl]morpholine (PubChem CID 70027018) has the molecular formula C17H32N2O and a molecular weight of 280.46 g/mol. Its IUPAC name is 4-[2-methyl-3-(2-piperidin-1-ylethyl)pent-3-en-2-yl]morpholine.

Molecular Properties

Compound Name4-[2-methyl-3-(2-piperidin-1-ylethyl)pent-3-en-2-yl]morpholine
PubChem CID70027018
Molecular FormulaC17H32N2O
Molecular Weight280.46 g/mol
Exact Mass280.25
IUPAC Name4-[2-methyl-3-(2-piperidin-1-ylethyl)pent-3-en-2-yl]morpholine
SMILESCC=C(CCN1CCCCC1)C(C)(C)N1CCOCC1
InChIInChI=1S/C17H32N2O/c1-4-16(8-11-18-9-6-5-7-10-18)17(2,3)19-12-14-20-15-13-19/h4H,5-15H2,1-3H3
InChIKeyDARYAEZZGKLXRD-UHFFFAOYSA-N
XLogP2.92
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.46
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-(2-piperidin-1-ylethyl)pent-3-en-2-yl]morpholine?
The IUPAC name of 4-[2-methyl-3-(2-piperidin-1-ylethyl)pent-3-en-2-yl]morpholine (CID 70027018) is 4-[2-methyl-3-(2-piperidin-1-ylethyl)pent-3-en-2-yl]morpholine.
What is the SMILES notation for 4-[2-methyl-3-(2-piperidin-1-ylethyl)pent-3-en-2-yl]morpholine?
The canonical SMILES for 4-[2-methyl-3-(2-piperidin-1-ylethyl)pent-3-en-2-yl]morpholine is CC=C(CCN1CCCCC1)C(C)(C)N1CCOCC1.
What is the InChIKey of 4-[2-methyl-3-(2-piperidin-1-ylethyl)pent-3-en-2-yl]morpholine?
The InChIKey is DARYAEZZGKLXRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O/c1-4-16(8-11-18-9-6-5-7-10-18)17(2,3)19-12-14-20-15-13-19/h4H,5-15H2,1-3H3.
What are the key properties of 4-[2-methyl-3-(2-piperidin-1-ylethyl)pent-3-en-2-yl]morpholine?
4-[2-methyl-3-(2-piperidin-1-ylethyl)pent-3-en-2-yl]morpholine has a molecular weight of 280.46 g/mol, XLogP of 2.92, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-methyl-3-(2-piperidin-1-ylethyl)pent-3-en-2-yl]morpholine is sourced from PubChem (CID 70027018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).