1-cyclohexa-1,5-dien-1-yl-2-piperidin-1-ylpropan-1-one

C14H21NO — CID 87786341

IUPAC1-cyclohexa-1,5-dien-1-yl-2-piperidin-1-ylpropan-1-one
SMILESCC(C(=O)C1=CCCC=C1)N1CCCCC1
InChIInChI=1S/C14H21NO/c1-12(15-10-6-3-7-11-15)14(16)13-8-4-2-5-9-13/h4,8-9,12H,2-3,5-7,10-11H2,1H3
InChIKeyMJJBIVQBQPBHCG-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.71
Rot. Bonds3

About 1-cyclohexa-1,5-dien-1-yl-2-piperidin-1-ylpropan-1-one

1-cyclohexa-1,5-dien-1-yl-2-piperidin-1-ylpropan-1-one (PubChem CID 87786341) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 1-cyclohexa-1,5-dien-1-yl-2-piperidin-1-ylpropan-1-one.

Molecular Properties

Compound Name1-cyclohexa-1,5-dien-1-yl-2-piperidin-1-ylpropan-1-one
PubChem CID87786341
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name1-cyclohexa-1,5-dien-1-yl-2-piperidin-1-ylpropan-1-one
SMILESCC(C(=O)C1=CCCC=C1)N1CCCCC1
InChIInChI=1S/C14H21NO/c1-12(15-10-6-3-7-11-15)14(16)13-8-4-2-5-9-13/h4,8-9,12H,2-3,5-7,10-11H2,1H3
InChIKeyMJJBIVQBQPBHCG-UHFFFAOYSA-N
XLogP2.71
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexa-1,5-dien-1-yl-2-piperidin-1-ylpropan-1-one?
The IUPAC name of 1-cyclohexa-1,5-dien-1-yl-2-piperidin-1-ylpropan-1-one (CID 87786341) is 1-cyclohexa-1,5-dien-1-yl-2-piperidin-1-ylpropan-1-one.
What is the SMILES notation for 1-cyclohexa-1,5-dien-1-yl-2-piperidin-1-ylpropan-1-one?
The canonical SMILES for 1-cyclohexa-1,5-dien-1-yl-2-piperidin-1-ylpropan-1-one is CC(C(=O)C1=CCCC=C1)N1CCCCC1.
What is the InChIKey of 1-cyclohexa-1,5-dien-1-yl-2-piperidin-1-ylpropan-1-one?
The InChIKey is MJJBIVQBQPBHCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-12(15-10-6-3-7-11-15)14(16)13-8-4-2-5-9-13/h4,8-9,12H,2-3,5-7,10-11H2,1H3.
What are the key properties of 1-cyclohexa-1,5-dien-1-yl-2-piperidin-1-ylpropan-1-one?
1-cyclohexa-1,5-dien-1-yl-2-piperidin-1-ylpropan-1-one has a molecular weight of 219.33 g/mol, XLogP of 2.71, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexa-1,5-dien-1-yl-2-piperidin-1-ylpropan-1-one is sourced from PubChem (CID 87786341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).