2-benzylidenepiperidin-4-one;pyridine

C17H18N2O — CID 175427623

IUPAC2-benzylidenepiperidin-4-one;pyridine
SMILESO=C1CCNC(=Cc2ccccc2)C1.c1ccncc1
InChIInChI=1S/C12H13NO.C5H5N/c14-12-6-7-13-11(9-12)8-10-4-2-1-3-5-10;1-2-4-6-5-3-1/h1-5,8,13H,6-7,9H2;1-5H
InChIKeyOWNKARIQKYNVFE-UHFFFAOYSA-N
MW266.34 g/mol
LogP3.06
Rot. Bonds1

About 2-benzylidenepiperidin-4-one;pyridine

2-benzylidenepiperidin-4-one;pyridine (PubChem CID 175427623) has the molecular formula C17H18N2O and a molecular weight of 266.34 g/mol. Its IUPAC name is 2-benzylidenepiperidin-4-one;pyridine.

Molecular Properties

Compound Name2-benzylidenepiperidin-4-one;pyridine
PubChem CID175427623
Molecular FormulaC17H18N2O
Molecular Weight266.34 g/mol
Exact Mass266.14
IUPAC Name2-benzylidenepiperidin-4-one;pyridine
SMILESO=C1CCNC(=Cc2ccccc2)C1.c1ccncc1
InChIInChI=1S/C12H13NO.C5H5N/c14-12-6-7-13-11(9-12)8-10-4-2-1-3-5-10;1-2-4-6-5-3-1/h1-5,8,13H,6-7,9H2;1-5H
InChIKeyOWNKARIQKYNVFE-UHFFFAOYSA-N
XLogP3.06
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2E)-2-benzylidenepiperidin-4-one
CID 175136219
2-[(2-chlorophenyl)methylidene]piperidin-4-one
CID 167533120
2-[(4-fluorophenyl)methylidene]piperidin-4-one;pentanoic acid
CID 175556461
benzaldehyde;bis(pyridine)
CID 174954830
2-benzylidenecyclobutan-1-one
CID 73042587
2,3-dihydro-1H-indole;pyridine
CID 160958359
(2E)-2-benzylidene-1-methylpiperidin-4-one
CID 175128090
pyridine;styrene;sulfane
CID 174934116
pyridine;styrene;hydrochloride
CID 173443954
1-(3-benzylidenepiperazin-1-yl)ethanone
CID 141001941
(4Z)-4-benzylidene-2,3-dihydronaphthalen-1-one
CID 10399128
2-benzylidene-1,3-diazinane
CID 14931630

Frequently Asked Questions

What is the IUPAC name of 2-benzylidenepiperidin-4-one;pyridine?
The IUPAC name of 2-benzylidenepiperidin-4-one;pyridine (CID 175427623) is 2-benzylidenepiperidin-4-one;pyridine.
What is the SMILES notation for 2-benzylidenepiperidin-4-one;pyridine?
The canonical SMILES for 2-benzylidenepiperidin-4-one;pyridine is O=C1CCNC(=Cc2ccccc2)C1.c1ccncc1.
What is the InChIKey of 2-benzylidenepiperidin-4-one;pyridine?
The InChIKey is OWNKARIQKYNVFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO.C5H5N/c14-12-6-7-13-11(9-12)8-10-4-2-1-3-5-10;1-2-4-6-5-3-1/h1-5,8,13H,6-7,9H2;1-5H.
What are the key properties of 2-benzylidenepiperidin-4-one;pyridine?
2-benzylidenepiperidin-4-one;pyridine has a molecular weight of 266.34 g/mol, XLogP of 3.06, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzylidenepiperidin-4-one;pyridine is sourced from PubChem (CID 175427623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).