2-ethenyl-1-piperidin-1-ylhexan-1-one

C13H23NO — CID 90718085

IUPAC2-ethenyl-1-piperidin-1-ylhexan-1-one
SMILESC=CC(CCCC)C(=O)N1CCCCC1
InChIInChI=1S/C13H23NO/c1-3-5-9-12(4-2)13(15)14-10-7-6-8-11-14/h4,12H,2-3,5-11H2,1H3
InChIKeyJGPHZFDQPAVJJM-UHFFFAOYSA-N
MW209.33 g/mol
LogP2.99
Rot. Bonds5

About 2-ethenyl-1-piperidin-1-ylhexan-1-one

2-ethenyl-1-piperidin-1-ylhexan-1-one (PubChem CID 90718085) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is 2-ethenyl-1-piperidin-1-ylhexan-1-one.

Molecular Properties

Compound Name2-ethenyl-1-piperidin-1-ylhexan-1-one
PubChem CID90718085
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC Name2-ethenyl-1-piperidin-1-ylhexan-1-one
SMILESC=CC(CCCC)C(=O)N1CCCCC1
InChIInChI=1S/C13H23NO/c1-3-5-9-12(4-2)13(15)14-10-7-6-8-11-14/h4,12H,2-3,5-11H2,1H3
InChIKeyJGPHZFDQPAVJJM-UHFFFAOYSA-N
XLogP2.99
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 43086925
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4-ethenyl-2-methyloctadecan-3-one
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2-amino-1-(azocan-1-yl)pentan-1-one;hydrochloride
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8-ethenyldocosan-7-one
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(3R)-N-hydroxy-3-(pyrrolidine-1-carbonyl)heptanamide
CID 23520253
N-heptan-2-ylpiperidine-1-carboxamide
CID 115578841
2-[4-(hydroxymethyl)phenyl]-1-piperidin-1-ylhexan-1-one
CID 67329090
[(2R)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl] 2-bromohexanoate
CID 86655157
1-hept-1-en-3-ylpyrrolidine
CID 68589014
methyl 2-ethenyloctanoate
CID 12739558
2-[4-(1-oxo-1-piperidin-1-ylhexan-2-yl)phenoxy]acetic acid
CID 67330505

Frequently Asked Questions

What is the IUPAC name of 2-ethenyl-1-piperidin-1-ylhexan-1-one?
The IUPAC name of 2-ethenyl-1-piperidin-1-ylhexan-1-one (CID 90718085) is 2-ethenyl-1-piperidin-1-ylhexan-1-one.
What is the SMILES notation for 2-ethenyl-1-piperidin-1-ylhexan-1-one?
The canonical SMILES for 2-ethenyl-1-piperidin-1-ylhexan-1-one is C=CC(CCCC)C(=O)N1CCCCC1.
What is the InChIKey of 2-ethenyl-1-piperidin-1-ylhexan-1-one?
The InChIKey is JGPHZFDQPAVJJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO/c1-3-5-9-12(4-2)13(15)14-10-7-6-8-11-14/h4,12H,2-3,5-11H2,1H3.
What are the key properties of 2-ethenyl-1-piperidin-1-ylhexan-1-one?
2-ethenyl-1-piperidin-1-ylhexan-1-one has a molecular weight of 209.33 g/mol, XLogP of 2.99, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-1-piperidin-1-ylhexan-1-one is sourced from PubChem (CID 90718085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).