(2E)-2-benzylidenepiperidin-4-one

C12H13NO — CID 175136219

IUPAC(2E)-2-benzylidenepiperidin-4-one
SMILESO=C1CCN/C(=C/c2ccccc2)C1
InChIInChI=1S/C12H13NO/c14-12-6-7-13-11(9-12)8-10-4-2-1-3-5-10/h1-5,8,13H,6-7,9H2/b11-8+
InChIKeyDMEPUNOMEDPNIX-DHZHZOJOSA-N
MW187.24 g/mol
LogP1.98
Rot. Bonds1

About (2E)-2-benzylidenepiperidin-4-one

(2E)-2-benzylidenepiperidin-4-one (PubChem CID 175136219) has the molecular formula C12H13NO and a molecular weight of 187.24 g/mol. Its IUPAC name is (2E)-2-benzylidenepiperidin-4-one.

Molecular Properties

Compound Name(2E)-2-benzylidenepiperidin-4-one
PubChem CID175136219
Molecular FormulaC12H13NO
Molecular Weight187.24 g/mol
Exact Mass187.10
IUPAC Name(2E)-2-benzylidenepiperidin-4-one
SMILESO=C1CCN/C(=C/c2ccccc2)C1
InChIInChI=1S/C12H13NO/c14-12-6-7-13-11(9-12)8-10-4-2-1-3-5-10/h1-5,8,13H,6-7,9H2/b11-8+
InChIKeyDMEPUNOMEDPNIX-DHZHZOJOSA-N
XLogP1.98
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-benzylidenepiperidin-4-one;pyridine
CID 175427623
2-[(2-chlorophenyl)methylidene]piperidin-4-one
CID 167533120
2-[(4-fluorophenyl)methylidene]piperidin-4-one;pentanoic acid
CID 175556461
2-benzylidenecyclobutan-1-one
CID 73042587
(2E)-2-benzylidene-1-methylpiperidin-4-one
CID 175128090
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
2-benzylidene-6-imidazolidin-2-ylidenecyclohexan-1-one
CID 75950629
(2E)-2-benzylidene-1-cyclopropylpiperidin-4-one
CID 175132799
(6E)-2,6-dibenzylidenecyclohexan-1-one
CID 1240877
(2E)-2-benzylidene-1,3-oxazolidin-5-one
CID 70400530

Frequently Asked Questions

What is the IUPAC name of (2E)-2-benzylidenepiperidin-4-one?
The IUPAC name of (2E)-2-benzylidenepiperidin-4-one (CID 175136219) is (2E)-2-benzylidenepiperidin-4-one.
What is the SMILES notation for (2E)-2-benzylidenepiperidin-4-one?
The canonical SMILES for (2E)-2-benzylidenepiperidin-4-one is O=C1CCN/C(=C/c2ccccc2)C1.
What is the InChIKey of (2E)-2-benzylidenepiperidin-4-one?
The InChIKey is DMEPUNOMEDPNIX-DHZHZOJOSA-N. The full InChI is InChI=1S/C12H13NO/c14-12-6-7-13-11(9-12)8-10-4-2-1-3-5-10/h1-5,8,13H,6-7,9H2/b11-8+.
What are the key properties of (2E)-2-benzylidenepiperidin-4-one?
(2E)-2-benzylidenepiperidin-4-one has a molecular weight of 187.24 g/mol, XLogP of 1.98, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-benzylidenepiperidin-4-one is sourced from PubChem (CID 175136219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).