1-(2-ethylpiperidin-1-yl)undec-10-en-1-one

C18H33NO — CID 44890638

IUPAC1-(2-ethylpiperidin-1-yl)undec-10-en-1-one
SMILESC=CCCCCCCCCC(=O)N1CCCCC1CC
InChIInChI=1S/C18H33NO/c1-3-5-6-7-8-9-10-11-15-18(20)19-16-13-12-14-17(19)4-2/h3,17H,1,4-16H2,2H3
InChIKeyXQURUUILKLATEO-UHFFFAOYSA-N
MW279.47 g/mol
LogP5.08
Rot. Bonds10

About 1-(2-ethylpiperidin-1-yl)undec-10-en-1-one

1-(2-ethylpiperidin-1-yl)undec-10-en-1-one (PubChem CID 44890638) has the molecular formula C18H33NO and a molecular weight of 279.47 g/mol. Its IUPAC name is 1-(2-ethylpiperidin-1-yl)undec-10-en-1-one.

Molecular Properties

Compound Name1-(2-ethylpiperidin-1-yl)undec-10-en-1-one
PubChem CID44890638
Molecular FormulaC18H33NO
Molecular Weight279.47 g/mol
Exact Mass279.26
IUPAC Name1-(2-ethylpiperidin-1-yl)undec-10-en-1-one
SMILESC=CCCCCCCCCC(=O)N1CCCCC1CC
InChIInChI=1S/C18H33NO/c1-3-5-6-7-8-9-10-11-15-18(20)19-16-13-12-14-17(19)4-2/h3,17H,1,4-16H2,2H3
InChIKeyXQURUUILKLATEO-UHFFFAOYSA-N
XLogP5.08
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500279.47
LogP ≤ 55.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylpiperidin-1-yl)undec-10-en-1-one?
The IUPAC name of 1-(2-ethylpiperidin-1-yl)undec-10-en-1-one (CID 44890638) is 1-(2-ethylpiperidin-1-yl)undec-10-en-1-one.
What is the SMILES notation for 1-(2-ethylpiperidin-1-yl)undec-10-en-1-one?
The canonical SMILES for 1-(2-ethylpiperidin-1-yl)undec-10-en-1-one is C=CCCCCCCCCC(=O)N1CCCCC1CC.
What is the InChIKey of 1-(2-ethylpiperidin-1-yl)undec-10-en-1-one?
The InChIKey is XQURUUILKLATEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33NO/c1-3-5-6-7-8-9-10-11-15-18(20)19-16-13-12-14-17(19)4-2/h3,17H,1,4-16H2,2H3.
What are the key properties of 1-(2-ethylpiperidin-1-yl)undec-10-en-1-one?
1-(2-ethylpiperidin-1-yl)undec-10-en-1-one has a molecular weight of 279.47 g/mol, XLogP of 5.08, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylpiperidin-1-yl)undec-10-en-1-one is sourced from PubChem (CID 44890638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).