1,2,2,3-tetrakis(prop-2-enyl)piperidin-4-one

C17H25NO — CID 70395801

IUPAC1,2,2,3-tetrakis(prop-2-enyl)piperidin-4-one
SMILESC=CCC1C(=O)CCN(CC=C)C1(CC=C)CC=C
InChIInChI=1S/C17H25NO/c1-5-9-15-16(19)10-14-18(13-8-4)17(15,11-6-2)12-7-3/h5-8,15H,1-4,9-14H2
InChIKeyMYVXIRVPZBJBFE-UHFFFAOYSA-N
MW259.39 g/mol
LogP3.53
Rot. Bonds8

About 1,2,2,3-tetrakis(prop-2-enyl)piperidin-4-one

1,2,2,3-tetrakis(prop-2-enyl)piperidin-4-one (PubChem CID 70395801) has the molecular formula C17H25NO and a molecular weight of 259.39 g/mol. Its IUPAC name is 1,2,2,3-tetrakis(prop-2-enyl)piperidin-4-one.

Molecular Properties

Compound Name1,2,2,3-tetrakis(prop-2-enyl)piperidin-4-one
PubChem CID70395801
Molecular FormulaC17H25NO
Molecular Weight259.39 g/mol
Exact Mass259.19
IUPAC Name1,2,2,3-tetrakis(prop-2-enyl)piperidin-4-one
SMILESC=CCC1C(=O)CCN(CC=C)C1(CC=C)CC=C
InChIInChI=1S/C17H25NO/c1-5-9-15-16(19)10-14-18(13-8-4)17(15,11-6-2)12-7-3/h5-8,15H,1-4,9-14H2
InChIKeyMYVXIRVPZBJBFE-UHFFFAOYSA-N
XLogP3.53
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-Fluoro-2,2,6,6-tetramethyl-1,3-bis(prop-2-enyl)piperidin-4-one
CID 156780048
1,3-Bis(prop-2-enyl)piperidin-4-one
CID 14916625
1,2,2,6,6-Pentakis(prop-2-enyl)piperidin-4-one
CID 67805335
1-Pentyl-3-prop-2-enylpiperidin-4-one
CID 68718418
5-(2,2,6,6-Tetramethyl-1-prop-2-enylpiperidin-4-yl)pent-1-en-3-one
CID 89829225
1-(Cyclooctylmethyl)-3-prop-2-enylpiperidin-4-one
CID 139909547
4-Cyclobut-2-en-1-yl-1-piperidin-1-ylhept-6-en-3-one
CID 142186988
2,2,6,6-Tetramethyl-1,3-bis(prop-2-enyl)piperidin-4-one
CID 175130807
1-(1-But-3-en-2-ylpiperidin-3-yl)ethanone
CID 63844576
1-(1-Pent-4-enylpiperidin-3-yl)ethanone
CID 64315621
1-(1-But-3-enylpiperidin-3-yl)ethanone
CID 64315622
3-Methyl-3-piperidin-1-yloct-7-en-4-one
CID 79065881

Frequently Asked Questions

What is the IUPAC name of 1,2,2,3-tetrakis(prop-2-enyl)piperidin-4-one?
The IUPAC name of 1,2,2,3-tetrakis(prop-2-enyl)piperidin-4-one (CID 70395801) is 1,2,2,3-tetrakis(prop-2-enyl)piperidin-4-one.
What is the SMILES notation for 1,2,2,3-tetrakis(prop-2-enyl)piperidin-4-one?
The canonical SMILES for 1,2,2,3-tetrakis(prop-2-enyl)piperidin-4-one is C=CCC1C(=O)CCN(CC=C)C1(CC=C)CC=C.
What is the InChIKey of 1,2,2,3-tetrakis(prop-2-enyl)piperidin-4-one?
The InChIKey is MYVXIRVPZBJBFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO/c1-5-9-15-16(19)10-14-18(13-8-4)17(15,11-6-2)12-7-3/h5-8,15H,1-4,9-14H2.
What are the key properties of 1,2,2,3-tetrakis(prop-2-enyl)piperidin-4-one?
1,2,2,3-tetrakis(prop-2-enyl)piperidin-4-one has a molecular weight of 259.39 g/mol, XLogP of 3.53, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,2,3-tetrakis(prop-2-enyl)piperidin-4-one is sourced from PubChem (CID 70395801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).