3-hept-6-enylpiperidin-4-one

C12H21NO — CID 107007775

IUPAC3-hept-6-enylpiperidin-4-one
SMILESC=CCCCCCC1CNCCC1=O
InChIInChI=1S/C12H21NO/c1-2-3-4-5-6-7-11-10-13-9-8-12(11)14/h2,11,13H,1,3-10H2
InChIKeyUGALVAKCNJDCGJ-UHFFFAOYSA-N
MW195.31 g/mol
LogP2.30
Rot. Bonds6

About 3-hept-6-enylpiperidin-4-one

3-hept-6-enylpiperidin-4-one (PubChem CID 107007775) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is 3-hept-6-enylpiperidin-4-one.

Molecular Properties

Compound Name3-hept-6-enylpiperidin-4-one
PubChem CID107007775
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Name3-hept-6-enylpiperidin-4-one
SMILESC=CCCCCCC1CNCCC1=O
InChIInChI=1S/C12H21NO/c1-2-3-4-5-6-7-11-10-13-9-8-12(11)14/h2,11,13H,1,3-10H2
InChIKeyUGALVAKCNJDCGJ-UHFFFAOYSA-N
XLogP2.30
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 3-hept-6-enylpiperidin-4-one?
The IUPAC name of 3-hept-6-enylpiperidin-4-one (CID 107007775) is 3-hept-6-enylpiperidin-4-one.
What is the SMILES notation for 3-hept-6-enylpiperidin-4-one?
The canonical SMILES for 3-hept-6-enylpiperidin-4-one is C=CCCCCCC1CNCCC1=O.
What is the InChIKey of 3-hept-6-enylpiperidin-4-one?
The InChIKey is UGALVAKCNJDCGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO/c1-2-3-4-5-6-7-11-10-13-9-8-12(11)14/h2,11,13H,1,3-10H2.
What are the key properties of 3-hept-6-enylpiperidin-4-one?
3-hept-6-enylpiperidin-4-one has a molecular weight of 195.31 g/mol, XLogP of 2.30, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hept-6-enylpiperidin-4-one is sourced from PubChem (CID 107007775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).