1-pentadecylpiperidin-4-one

C20H39NO — CID 10267366

IUPAC1-pentadecylpiperidin-4-one
SMILESCCCCCCCCCCCCCCCN1CCC(=O)CC1
InChIInChI=1S/C20H39NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-21-18-15-20(22)16-19-21/h2-19H2,1H3
InChIKeyMQUMZOVSWPLFNU-UHFFFAOYSA-N
MW309.54 g/mol
LogP5.74
Rot. Bonds14

About 1-pentadecylpiperidin-4-one

1-pentadecylpiperidin-4-one (PubChem CID 10267366) has the molecular formula C20H39NO and a molecular weight of 309.54 g/mol. Its IUPAC name is 1-pentadecylpiperidin-4-one.

Molecular Properties

Compound Name1-pentadecylpiperidin-4-one
PubChem CID10267366
Molecular FormulaC20H39NO
Molecular Weight309.54 g/mol
Exact Mass309.30
IUPAC Name1-pentadecylpiperidin-4-one
SMILESCCCCCCCCCCCCCCCN1CCC(=O)CC1
InChIInChI=1S/C20H39NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-21-18-15-20(22)16-19-21/h2-19H2,1H3
InChIKeyMQUMZOVSWPLFNU-UHFFFAOYSA-N
XLogP5.74
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500309.54
LogP ≤ 55.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

butane;1-butylpiperidin-4-one
CID 177152756
1-(5-butoxypentyl)piperidin-4-one
CID 18001872
1-(6-butoxyhexyl)piperidin-4-one
CID 70277022
1-octylpiperidin-3-one;1-octylpiperidin-4-one
CID 68829117
1-(4-butoxybutyl)piperidin-4-one
CID 70278532
1-(5-propoxypentyl)piperidin-4-one
CID 70277123
1-octylaziridine
CID 544653
1,4,7-tridodecyl-1,4,7-triazonane
CID 66887116
1-butylpyrrolidin-3-one
CID 23052762
1-[3-(dipropylamino)propyl]piperidin-4-one
CID 18001996
2-octyldecyl 6-(4-oxopiperidin-1-yl)hexanoate
CID 169317529
2-[2-(4-oxopiperidin-1-yl)ethyl]hexanoic acid
CID 142749227

Frequently Asked Questions

What is the IUPAC name of 1-pentadecylpiperidin-4-one?
The IUPAC name of 1-pentadecylpiperidin-4-one (CID 10267366) is 1-pentadecylpiperidin-4-one.
What is the SMILES notation for 1-pentadecylpiperidin-4-one?
The canonical SMILES for 1-pentadecylpiperidin-4-one is CCCCCCCCCCCCCCCN1CCC(=O)CC1.
What is the InChIKey of 1-pentadecylpiperidin-4-one?
The InChIKey is MQUMZOVSWPLFNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H39NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-21-18-15-20(22)16-19-21/h2-19H2,1H3.
What are the key properties of 1-pentadecylpiperidin-4-one?
1-pentadecylpiperidin-4-one has a molecular weight of 309.54 g/mol, XLogP of 5.74, 14 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pentadecylpiperidin-4-one is sourced from PubChem (CID 10267366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).