4-cyclohexa-1,5-dien-1-yl-3-[(2R)-piperidin-2-yl]butan-2-one

C15H23NO — CID 163729799

IUPAC4-cyclohexa-1,5-dien-1-yl-3-[(2R)-piperidin-2-yl]butan-2-one
SMILESCC(=O)C(CC1=CCCC=C1)C1CCCCN1
InChIInChI=1S/C15H23NO/c1-12(17)14(15-9-5-6-10-16-15)11-13-7-3-2-4-8-13/h3,7-8,14-16H,2,4-6,9-11H2,1H3
InChIKeyKYQGJVQHUCPOOY-UHFFFAOYSA-N
MW233.35 g/mol
LogP3.00
Rot. Bonds4

About 4-cyclohexa-1,5-dien-1-yl-3-[(2R)-piperidin-2-yl]butan-2-one

4-cyclohexa-1,5-dien-1-yl-3-[(2R)-piperidin-2-yl]butan-2-one (PubChem CID 163729799) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is 4-cyclohexa-1,5-dien-1-yl-3-[(2R)-piperidin-2-yl]butan-2-one.

Molecular Properties

Compound Name4-cyclohexa-1,5-dien-1-yl-3-[(2R)-piperidin-2-yl]butan-2-one
PubChem CID163729799
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC Name4-cyclohexa-1,5-dien-1-yl-3-[(2R)-piperidin-2-yl]butan-2-one
SMILESCC(=O)C(CC1=CCCC=C1)C1CCCCN1
InChIInChI=1S/C15H23NO/c1-12(17)14(15-9-5-6-10-16-15)11-13-7-3-2-4-8-13/h3,7-8,14-16H,2,4-6,9-11H2,1H3
InChIKeyKYQGJVQHUCPOOY-UHFFFAOYSA-N
XLogP3.00
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-cyclohexa-1,5-dien-1-yl-3-[(2R)-piperidin-2-yl]butan-2-one?
The IUPAC name of 4-cyclohexa-1,5-dien-1-yl-3-[(2R)-piperidin-2-yl]butan-2-one (CID 163729799) is 4-cyclohexa-1,5-dien-1-yl-3-[(2R)-piperidin-2-yl]butan-2-one.
What is the SMILES notation for 4-cyclohexa-1,5-dien-1-yl-3-[(2R)-piperidin-2-yl]butan-2-one?
The canonical SMILES for 4-cyclohexa-1,5-dien-1-yl-3-[(2R)-piperidin-2-yl]butan-2-one is CC(=O)C(CC1=CCCC=C1)C1CCCCN1.
What is the InChIKey of 4-cyclohexa-1,5-dien-1-yl-3-[(2R)-piperidin-2-yl]butan-2-one?
The InChIKey is KYQGJVQHUCPOOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-12(17)14(15-9-5-6-10-16-15)11-13-7-3-2-4-8-13/h3,7-8,14-16H,2,4-6,9-11H2,1H3.
What are the key properties of 4-cyclohexa-1,5-dien-1-yl-3-[(2R)-piperidin-2-yl]butan-2-one?
4-cyclohexa-1,5-dien-1-yl-3-[(2R)-piperidin-2-yl]butan-2-one has a molecular weight of 233.35 g/mol, XLogP of 3.00, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexa-1,5-dien-1-yl-3-[(2R)-piperidin-2-yl]butan-2-one is sourced from PubChem (CID 163729799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).