2,2-diethyl-1-(4-ethyl-4-methylpiperidin-1-yl)pent-4-en-1-one

C17H31NO — CID 129252512

IUPAC2,2-diethyl-1-(4-ethyl-4-methylpiperidin-1-yl)pent-4-en-1-one
SMILESC=CCC(CC)(CC)C(=O)N1CCC(C)(CC)CC1
InChIInChI=1S/C17H31NO/c1-6-10-17(8-3,9-4)15(19)18-13-11-16(5,7-2)12-14-18/h6H,1,7-14H2,2-5H3
InChIKeyAUVQIKMOCBFTAF-UHFFFAOYSA-N
MW265.44 g/mol
LogP4.41
Rot. Bonds6

About 2,2-diethyl-1-(4-ethyl-4-methylpiperidin-1-yl)pent-4-en-1-one

2,2-diethyl-1-(4-ethyl-4-methylpiperidin-1-yl)pent-4-en-1-one (PubChem CID 129252512) has the molecular formula C17H31NO and a molecular weight of 265.44 g/mol. Its IUPAC name is 2,2-diethyl-1-(4-ethyl-4-methylpiperidin-1-yl)pent-4-en-1-one.

Molecular Properties

Compound Name2,2-diethyl-1-(4-ethyl-4-methylpiperidin-1-yl)pent-4-en-1-one
PubChem CID129252512
Molecular FormulaC17H31NO
Molecular Weight265.44 g/mol
Exact Mass265.24
IUPAC Name2,2-diethyl-1-(4-ethyl-4-methylpiperidin-1-yl)pent-4-en-1-one
SMILESC=CCC(CC)(CC)C(=O)N1CCC(C)(CC)CC1
InChIInChI=1S/C17H31NO/c1-6-10-17(8-3,9-4)15(19)18-13-11-16(5,7-2)12-14-18/h6H,1,7-14H2,2-5H3
InChIKeyAUVQIKMOCBFTAF-UHFFFAOYSA-N
XLogP4.41
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.44
LogP ≤ 54.41
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 2,2-diethyl-1-(4-ethyl-4-methylpiperidin-1-yl)pent-4-en-1-one?
The IUPAC name of 2,2-diethyl-1-(4-ethyl-4-methylpiperidin-1-yl)pent-4-en-1-one (CID 129252512) is 2,2-diethyl-1-(4-ethyl-4-methylpiperidin-1-yl)pent-4-en-1-one.
What is the SMILES notation for 2,2-diethyl-1-(4-ethyl-4-methylpiperidin-1-yl)pent-4-en-1-one?
The canonical SMILES for 2,2-diethyl-1-(4-ethyl-4-methylpiperidin-1-yl)pent-4-en-1-one is C=CCC(CC)(CC)C(=O)N1CCC(C)(CC)CC1.
What is the InChIKey of 2,2-diethyl-1-(4-ethyl-4-methylpiperidin-1-yl)pent-4-en-1-one?
The InChIKey is AUVQIKMOCBFTAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31NO/c1-6-10-17(8-3,9-4)15(19)18-13-11-16(5,7-2)12-14-18/h6H,1,7-14H2,2-5H3.
What are the key properties of 2,2-diethyl-1-(4-ethyl-4-methylpiperidin-1-yl)pent-4-en-1-one?
2,2-diethyl-1-(4-ethyl-4-methylpiperidin-1-yl)pent-4-en-1-one has a molecular weight of 265.44 g/mol, XLogP of 4.41, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diethyl-1-(4-ethyl-4-methylpiperidin-1-yl)pent-4-en-1-one is sourced from PubChem (CID 129252512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).