1-(2-cyclohepta-1,3,6-trien-1-ylethyl)piperidin-4-one

C14H19NO — CID 123265781

IUPAC1-(2-cyclohepta-1,3,6-trien-1-ylethyl)piperidin-4-one
SMILESO=C1CCN(CCC2=CC=CCC=C2)CC1
InChIInChI=1S/C14H19NO/c16-14-8-11-15(12-9-14)10-7-13-5-3-1-2-4-6-13/h1,3-6H,2,7-12H2
InChIKeyDYZSZZJDNUZNNV-UHFFFAOYSA-N
MW217.31 g/mol
LogP2.48
Rot. Bonds3

About 1-(2-cyclohepta-1,3,6-trien-1-ylethyl)piperidin-4-one

1-(2-cyclohepta-1,3,6-trien-1-ylethyl)piperidin-4-one (PubChem CID 123265781) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is 1-(2-cyclohepta-1,3,6-trien-1-ylethyl)piperidin-4-one.

Molecular Properties

Compound Name1-(2-cyclohepta-1,3,6-trien-1-ylethyl)piperidin-4-one
PubChem CID123265781
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name1-(2-cyclohepta-1,3,6-trien-1-ylethyl)piperidin-4-one
SMILESO=C1CCN(CCC2=CC=CCC=C2)CC1
InChIInChI=1S/C14H19NO/c16-14-8-11-15(12-9-14)10-7-13-5-3-1-2-4-6-13/h1,3-6H,2,7-12H2
InChIKeyDYZSZZJDNUZNNV-UHFFFAOYSA-N
XLogP2.48
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclohepta-1,3,6-trien-1-ylethyl)piperidin-4-one?
The IUPAC name of 1-(2-cyclohepta-1,3,6-trien-1-ylethyl)piperidin-4-one (CID 123265781) is 1-(2-cyclohepta-1,3,6-trien-1-ylethyl)piperidin-4-one.
What is the SMILES notation for 1-(2-cyclohepta-1,3,6-trien-1-ylethyl)piperidin-4-one?
The canonical SMILES for 1-(2-cyclohepta-1,3,6-trien-1-ylethyl)piperidin-4-one is O=C1CCN(CCC2=CC=CCC=C2)CC1.
What is the InChIKey of 1-(2-cyclohepta-1,3,6-trien-1-ylethyl)piperidin-4-one?
The InChIKey is DYZSZZJDNUZNNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO/c16-14-8-11-15(12-9-14)10-7-13-5-3-1-2-4-6-13/h1,3-6H,2,7-12H2.
What are the key properties of 1-(2-cyclohepta-1,3,6-trien-1-ylethyl)piperidin-4-one?
1-(2-cyclohepta-1,3,6-trien-1-ylethyl)piperidin-4-one has a molecular weight of 217.31 g/mol, XLogP of 2.48, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclohepta-1,3,6-trien-1-ylethyl)piperidin-4-one is sourced from PubChem (CID 123265781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).