1-piperidin-1-ylundeca-3,4-dien-1-one

C16H27NO — CID 71320410

IUPAC1-piperidin-1-ylundeca-3,4-dien-1-one
SMILESCCCCCCC=C=CCC(=O)N1CCCCC1
InChIInChI=1S/C16H27NO/c1-2-3-4-5-6-7-8-10-13-16(18)17-14-11-9-12-15-17/h7,10H,2-6,9,11-15H2,1H3
InChIKeyBNPXKKXWRUUSTE-UHFFFAOYSA-N
MW249.40 g/mol
LogP4.07
Rot. Bonds7

About 1-piperidin-1-ylundeca-3,4-dien-1-one

1-piperidin-1-ylundeca-3,4-dien-1-one (PubChem CID 71320410) has the molecular formula C16H27NO and a molecular weight of 249.40 g/mol. Its IUPAC name is 1-piperidin-1-ylundeca-3,4-dien-1-one.

Molecular Properties

Compound Name1-piperidin-1-ylundeca-3,4-dien-1-one
PubChem CID71320410
Molecular FormulaC16H27NO
Molecular Weight249.40 g/mol
Exact Mass249.21
IUPAC Name1-piperidin-1-ylundeca-3,4-dien-1-one
SMILESCCCCCCC=C=CCC(=O)N1CCCCC1
InChIInChI=1S/C16H27NO/c1-2-3-4-5-6-7-8-10-13-16(18)17-14-11-9-12-15-17/h7,10H,2-6,9,11-15H2,1H3
InChIKeyBNPXKKXWRUUSTE-UHFFFAOYSA-N
XLogP4.07
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(E)-1-(azocan-1-yl)dec-3-en-1-one
CID 71738791
(7Z,13Z)-1-pyrrolidin-1-yldocosa-7,13-dien-1-one
CID 91705104
ethyl trideca-3,4-dienoate
CID 24976454
1-pyrrolidin-1-ylhexadec-4-en-1-one
CID 163192567
1-pyrrolidin-1-yloctadec-6-en-1-one
CID 574885
(5Z,9Z,17Z)-1-pyrrolidin-1-ylhexacosa-5,9,17-trien-1-one
CID 91705242
(8Z,12Z)-1-pyrrolidin-1-yloctadeca-8,12-dien-1-one
CID 91705036
pentacosa-12,13-diene
CID 174365678
1-pyrrolidin-1-ylheptadecan-1-one
CID 574649
(E)-1-(azepan-1-yl)dec-2-en-1-one
CID 46935133
(E)-1-piperidin-1-yltridec-2-en-1-one
CID 102388697
1-(azepan-1-yl)dec-2-en-1-one
CID 66769739

Frequently Asked Questions

What is the IUPAC name of 1-piperidin-1-ylundeca-3,4-dien-1-one?
The IUPAC name of 1-piperidin-1-ylundeca-3,4-dien-1-one (CID 71320410) is 1-piperidin-1-ylundeca-3,4-dien-1-one.
What is the SMILES notation for 1-piperidin-1-ylundeca-3,4-dien-1-one?
The canonical SMILES for 1-piperidin-1-ylundeca-3,4-dien-1-one is CCCCCCC=C=CCC(=O)N1CCCCC1.
What is the InChIKey of 1-piperidin-1-ylundeca-3,4-dien-1-one?
The InChIKey is BNPXKKXWRUUSTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO/c1-2-3-4-5-6-7-8-10-13-16(18)17-14-11-9-12-15-17/h7,10H,2-6,9,11-15H2,1H3.
What are the key properties of 1-piperidin-1-ylundeca-3,4-dien-1-one?
1-piperidin-1-ylundeca-3,4-dien-1-one has a molecular weight of 249.40 g/mol, XLogP of 4.07, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperidin-1-ylundeca-3,4-dien-1-one is sourced from PubChem (CID 71320410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).