1,2,2,6,6-pentakis(prop-2-enyl)piperidin-4-one

C20H29NO — CID 67805335

IUPAC1,2,2,6,6-pentakis(prop-2-enyl)piperidin-4-one
SMILESC=CCN1C(CC=C)(CC=C)CC(=O)CC1(CC=C)CC=C
InChIInChI=1S/C20H29NO/c1-6-11-19(12-7-2)16-18(22)17-20(13-8-3,14-9-4)21(19)15-10-5/h6-10H,1-5,11-17H2
InChIKeyGEUMKXPDKVFAOS-UHFFFAOYSA-N
MW299.46 g/mol
LogP4.62
Rot. Bonds10

About 1,2,2,6,6-pentakis(prop-2-enyl)piperidin-4-one

1,2,2,6,6-pentakis(prop-2-enyl)piperidin-4-one (PubChem CID 67805335) has the molecular formula C20H29NO and a molecular weight of 299.46 g/mol. Its IUPAC name is 1,2,2,6,6-pentakis(prop-2-enyl)piperidin-4-one.

Molecular Properties

Compound Name1,2,2,6,6-pentakis(prop-2-enyl)piperidin-4-one
PubChem CID67805335
Molecular FormulaC20H29NO
Molecular Weight299.46 g/mol
Exact Mass299.22
IUPAC Name1,2,2,6,6-pentakis(prop-2-enyl)piperidin-4-one
SMILESC=CCN1C(CC=C)(CC=C)CC(=O)CC1(CC=C)CC=C
InChIInChI=1S/C20H29NO/c1-6-11-19(12-7-2)16-18(22)17-20(13-8-3,14-9-4)21(19)15-10-5/h6-10H,1-5,11-17H2
InChIKeyGEUMKXPDKVFAOS-UHFFFAOYSA-N
XLogP4.62
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.46
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 1,2,2,6,6-pentakis(prop-2-enyl)piperidin-4-one?
The IUPAC name of 1,2,2,6,6-pentakis(prop-2-enyl)piperidin-4-one (CID 67805335) is 1,2,2,6,6-pentakis(prop-2-enyl)piperidin-4-one.
What is the SMILES notation for 1,2,2,6,6-pentakis(prop-2-enyl)piperidin-4-one?
The canonical SMILES for 1,2,2,6,6-pentakis(prop-2-enyl)piperidin-4-one is C=CCN1C(CC=C)(CC=C)CC(=O)CC1(CC=C)CC=C.
What is the InChIKey of 1,2,2,6,6-pentakis(prop-2-enyl)piperidin-4-one?
The InChIKey is GEUMKXPDKVFAOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29NO/c1-6-11-19(12-7-2)16-18(22)17-20(13-8-3,14-9-4)21(19)15-10-5/h6-10H,1-5,11-17H2.
What are the key properties of 1,2,2,6,6-pentakis(prop-2-enyl)piperidin-4-one?
1,2,2,6,6-pentakis(prop-2-enyl)piperidin-4-one has a molecular weight of 299.46 g/mol, XLogP of 4.62, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,2,6,6-pentakis(prop-2-enyl)piperidin-4-one is sourced from PubChem (CID 67805335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).