4-(piperidin-1-ylmethylidene)cyclohexa-2,5-dien-1-one

C12H15NO — CID 89287872

IUPAC4-(piperidin-1-ylmethylidene)cyclohexa-2,5-dien-1-one
SMILESO=C1C=CC(=CN2CCCCC2)C=C1
InChIInChI=1S/C12H15NO/c14-12-6-4-11(5-7-12)10-13-8-2-1-3-9-13/h4-7,10H,1-3,8-9H2
InChIKeyFTGCJMKYNWSNMB-UHFFFAOYSA-N
MW189.26 g/mol
LogP2.05
Rot. Bonds1

About 4-(piperidin-1-ylmethylidene)cyclohexa-2,5-dien-1-one

4-(piperidin-1-ylmethylidene)cyclohexa-2,5-dien-1-one (PubChem CID 89287872) has the molecular formula C12H15NO and a molecular weight of 189.26 g/mol. Its IUPAC name is 4-(piperidin-1-ylmethylidene)cyclohexa-2,5-dien-1-one.

Molecular Properties

Compound Name4-(piperidin-1-ylmethylidene)cyclohexa-2,5-dien-1-one
PubChem CID89287872
Molecular FormulaC12H15NO
Molecular Weight189.26 g/mol
Exact Mass189.12
IUPAC Name4-(piperidin-1-ylmethylidene)cyclohexa-2,5-dien-1-one
SMILESO=C1C=CC(=CN2CCCCC2)C=C1
InChIInChI=1S/C12H15NO/c14-12-6-4-11(5-7-12)10-13-8-2-1-3-9-13/h4-7,10H,1-3,8-9H2
InChIKeyFTGCJMKYNWSNMB-UHFFFAOYSA-N
XLogP2.05
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(piperidin-1-ylmethylidene)cyclohexa-2,5-dien-1-one?
The IUPAC name of 4-(piperidin-1-ylmethylidene)cyclohexa-2,5-dien-1-one (CID 89287872) is 4-(piperidin-1-ylmethylidene)cyclohexa-2,5-dien-1-one.
What is the SMILES notation for 4-(piperidin-1-ylmethylidene)cyclohexa-2,5-dien-1-one?
The canonical SMILES for 4-(piperidin-1-ylmethylidene)cyclohexa-2,5-dien-1-one is O=C1C=CC(=CN2CCCCC2)C=C1.
What is the InChIKey of 4-(piperidin-1-ylmethylidene)cyclohexa-2,5-dien-1-one?
The InChIKey is FTGCJMKYNWSNMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO/c14-12-6-4-11(5-7-12)10-13-8-2-1-3-9-13/h4-7,10H,1-3,8-9H2.
What are the key properties of 4-(piperidin-1-ylmethylidene)cyclohexa-2,5-dien-1-one?
4-(piperidin-1-ylmethylidene)cyclohexa-2,5-dien-1-one has a molecular weight of 189.26 g/mol, XLogP of 2.05, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(piperidin-1-ylmethylidene)cyclohexa-2,5-dien-1-one is sourced from PubChem (CID 89287872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).