1-(3,3-dimethylpiperidin-1-yl)-2,2-diethylpent-4-en-1-one

C16H29NO — CID 134233330

IUPAC1-(3,3-dimethylpiperidin-1-yl)-2,2-diethylpent-4-en-1-one
SMILESC=CCC(CC)(CC)C(=O)N1CCCC(C)(C)C1
InChIInChI=1S/C16H29NO/c1-6-10-16(7-2,8-3)14(18)17-12-9-11-15(4,5)13-17/h6H,1,7-13H2,2-5H3
InChIKeyCCDIKQGVYFXMET-UHFFFAOYSA-N
MW251.41 g/mol
LogP4.02
Rot. Bonds5

About 1-(3,3-dimethylpiperidin-1-yl)-2,2-diethylpent-4-en-1-one

1-(3,3-dimethylpiperidin-1-yl)-2,2-diethylpent-4-en-1-one (PubChem CID 134233330) has the molecular formula C16H29NO and a molecular weight of 251.41 g/mol. Its IUPAC name is 1-(3,3-dimethylpiperidin-1-yl)-2,2-diethylpent-4-en-1-one.

Molecular Properties

Compound Name1-(3,3-dimethylpiperidin-1-yl)-2,2-diethylpent-4-en-1-one
PubChem CID134233330
Molecular FormulaC16H29NO
Molecular Weight251.41 g/mol
Exact Mass251.22
IUPAC Name1-(3,3-dimethylpiperidin-1-yl)-2,2-diethylpent-4-en-1-one
SMILESC=CCC(CC)(CC)C(=O)N1CCCC(C)(C)C1
InChIInChI=1S/C16H29NO/c1-6-10-16(7-2,8-3)14(18)17-12-9-11-15(4,5)13-17/h6H,1,7-13H2,2-5H3
InChIKeyCCDIKQGVYFXMET-UHFFFAOYSA-N
XLogP4.02
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.41
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-(3,3-dimethylpiperidin-1-yl)-2,2-diethylpent-4-en-1-one?
The IUPAC name of 1-(3,3-dimethylpiperidin-1-yl)-2,2-diethylpent-4-en-1-one (CID 134233330) is 1-(3,3-dimethylpiperidin-1-yl)-2,2-diethylpent-4-en-1-one.
What is the SMILES notation for 1-(3,3-dimethylpiperidin-1-yl)-2,2-diethylpent-4-en-1-one?
The canonical SMILES for 1-(3,3-dimethylpiperidin-1-yl)-2,2-diethylpent-4-en-1-one is C=CCC(CC)(CC)C(=O)N1CCCC(C)(C)C1.
What is the InChIKey of 1-(3,3-dimethylpiperidin-1-yl)-2,2-diethylpent-4-en-1-one?
The InChIKey is CCDIKQGVYFXMET-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO/c1-6-10-16(7-2,8-3)14(18)17-12-9-11-15(4,5)13-17/h6H,1,7-13H2,2-5H3.
What are the key properties of 1-(3,3-dimethylpiperidin-1-yl)-2,2-diethylpent-4-en-1-one?
1-(3,3-dimethylpiperidin-1-yl)-2,2-diethylpent-4-en-1-one has a molecular weight of 251.41 g/mol, XLogP of 4.02, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-dimethylpiperidin-1-yl)-2,2-diethylpent-4-en-1-one is sourced from PubChem (CID 134233330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).