4-[1-[3-[(1-but-3-en-2-ylpiperidin-4-yl)methyl]phenyl]but-3-en-2-yl]morpholine

C24H36N2O — CID 167233605

IUPAC4-[1-[3-[(1-but-3-en-2-ylpiperidin-4-yl)methyl]phenyl]but-3-en-2-yl]morpholine
SMILESC=CC(C)N1CCC(Cc2cccc(CC(C=C)N3CCOCC3)c2)CC1
InChIInChI=1S/C24H36N2O/c1-4-20(3)25-11-9-21(10-12-25)17-22-7-6-8-23(18-22)19-24(5-2)26-13-15-27-16-14-26/h4-8,18,20-21,24H,1-2,9-17,19H2,3H3
InChIKeyPMVVYXNRGWGFBE-UHFFFAOYSA-N
MW368.57 g/mol
LogP3.94
Rot. Bonds8

About 4-[1-[3-[(1-but-3-en-2-ylpiperidin-4-yl)methyl]phenyl]but-3-en-2-yl]morpholine

4-[1-[3-[(1-but-3-en-2-ylpiperidin-4-yl)methyl]phenyl]but-3-en-2-yl]morpholine (PubChem CID 167233605) has the molecular formula C24H36N2O and a molecular weight of 368.57 g/mol. Its IUPAC name is 4-[1-[3-[(1-but-3-en-2-ylpiperidin-4-yl)methyl]phenyl]but-3-en-2-yl]morpholine.

Molecular Properties

Compound Name4-[1-[3-[(1-but-3-en-2-ylpiperidin-4-yl)methyl]phenyl]but-3-en-2-yl]morpholine
PubChem CID167233605
Molecular FormulaC24H36N2O
Molecular Weight368.57 g/mol
Exact Mass368.28
IUPAC Name4-[1-[3-[(1-but-3-en-2-ylpiperidin-4-yl)methyl]phenyl]but-3-en-2-yl]morpholine
SMILESC=CC(C)N1CCC(Cc2cccc(CC(C=C)N3CCOCC3)c2)CC1
InChIInChI=1S/C24H36N2O/c1-4-20(3)25-11-9-21(10-12-25)17-22-7-6-8-23(18-22)19-24(5-2)26-13-15-27-16-14-26/h4-8,18,20-21,24H,1-2,9-17,19H2,3H3
InChIKeyPMVVYXNRGWGFBE-UHFFFAOYSA-N
XLogP3.94
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.57
LogP ≤ 53.94
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-[1-[3-[(1-but-3-en-2-ylpiperidin-4-yl)methyl]phenyl]but-3-en-2-yl]morpholine?
The IUPAC name of 4-[1-[3-[(1-but-3-en-2-ylpiperidin-4-yl)methyl]phenyl]but-3-en-2-yl]morpholine (CID 167233605) is 4-[1-[3-[(1-but-3-en-2-ylpiperidin-4-yl)methyl]phenyl]but-3-en-2-yl]morpholine.
What is the SMILES notation for 4-[1-[3-[(1-but-3-en-2-ylpiperidin-4-yl)methyl]phenyl]but-3-en-2-yl]morpholine?
The canonical SMILES for 4-[1-[3-[(1-but-3-en-2-ylpiperidin-4-yl)methyl]phenyl]but-3-en-2-yl]morpholine is C=CC(C)N1CCC(Cc2cccc(CC(C=C)N3CCOCC3)c2)CC1.
What is the InChIKey of 4-[1-[3-[(1-but-3-en-2-ylpiperidin-4-yl)methyl]phenyl]but-3-en-2-yl]morpholine?
The InChIKey is PMVVYXNRGWGFBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36N2O/c1-4-20(3)25-11-9-21(10-12-25)17-22-7-6-8-23(18-22)19-24(5-2)26-13-15-27-16-14-26/h4-8,18,20-21,24H,1-2,9-17,19H2,3H3.
What are the key properties of 4-[1-[3-[(1-but-3-en-2-ylpiperidin-4-yl)methyl]phenyl]but-3-en-2-yl]morpholine?
4-[1-[3-[(1-but-3-en-2-ylpiperidin-4-yl)methyl]phenyl]but-3-en-2-yl]morpholine has a molecular weight of 368.57 g/mol, XLogP of 3.94, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[3-[(1-but-3-en-2-ylpiperidin-4-yl)methyl]phenyl]but-3-en-2-yl]morpholine is sourced from PubChem (CID 167233605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).