2-(piperidin-4-ylidenemethyl)benzoic acid

C13H15NO2 — CID 167976622

IUPAC2-(piperidin-4-ylidenemethyl)benzoic acid
SMILESO=C(O)c1ccccc1C=C1CCNCC1
InChIInChI=1S/C13H15NO2/c15-13(16)12-4-2-1-3-11(12)9-10-5-7-14-8-6-10/h1-4,9,14H,5-8H2,(H,15,16)
InChIKeyPNYBSONTIADVPW-UHFFFAOYSA-N
MW217.27 g/mol
LogP2.15
Rot. Bonds2

About 2-(piperidin-4-ylidenemethyl)benzoic acid

2-(piperidin-4-ylidenemethyl)benzoic acid (PubChem CID 167976622) has the molecular formula C13H15NO2 and a molecular weight of 217.27 g/mol. Its IUPAC name is 2-(piperidin-4-ylidenemethyl)benzoic acid.

Molecular Properties

Compound Name2-(piperidin-4-ylidenemethyl)benzoic acid
PubChem CID167976622
Molecular FormulaC13H15NO2
Molecular Weight217.27 g/mol
Exact Mass217.11
IUPAC Name2-(piperidin-4-ylidenemethyl)benzoic acid
SMILESO=C(O)c1ccccc1C=C1CCNCC1
InChIInChI=1S/C13H15NO2/c15-13(16)12-4-2-1-3-11(12)9-10-5-7-14-8-6-10/h1-4,9,14H,5-8H2,(H,15,16)
InChIKeyPNYBSONTIADVPW-UHFFFAOYSA-N
XLogP2.15
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(E)-[(3Z)-3-[(2-carboxyphenyl)methylidene]-2-oxocyclohexylidene]methyl]benzoic acid
CID 46886214
2-(fluoren-9-ylidenemethyl)benzoic acid
CID 3643267
calcium;2-ethenylbenzoic acid;hydride
CID 174462542
2-[(E)-3,3,3-trifluoroprop-1-enyl]benzoic acid
CID 125476108
2-ethenylbenzoic acid;europium
CID 174925184
2-[(E)-[(E)-(2-carboxyphenyl)methylidenehydrazinylidene]methyl]benzoic acid
CID 69303300
2-[(1E)-buta-1,3-dienyl]benzoic acid
CID 20520746
2-[2-(2-bromophenyl)ethenyl]benzoic acid
CID 54475842
2-[3-(methylamino)prop-1-enyl]benzoic acid
CID 169473456
2-but-1-enylbenzoic acid
CID 66860810
2-[3-oxo-3-(3-phenylprop-2-enoyloxy)prop-1-enyl]benzoic acid
CID 173274386
2-[2-[2-(cyclopropylidenemethyl)phenyl]-2-phenylethenyl]phenol
CID 135026039

Frequently Asked Questions

What is the IUPAC name of 2-(piperidin-4-ylidenemethyl)benzoic acid?
The IUPAC name of 2-(piperidin-4-ylidenemethyl)benzoic acid (CID 167976622) is 2-(piperidin-4-ylidenemethyl)benzoic acid.
What is the SMILES notation for 2-(piperidin-4-ylidenemethyl)benzoic acid?
The canonical SMILES for 2-(piperidin-4-ylidenemethyl)benzoic acid is O=C(O)c1ccccc1C=C1CCNCC1.
What is the InChIKey of 2-(piperidin-4-ylidenemethyl)benzoic acid?
The InChIKey is PNYBSONTIADVPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO2/c15-13(16)12-4-2-1-3-11(12)9-10-5-7-14-8-6-10/h1-4,9,14H,5-8H2,(H,15,16).
What are the key properties of 2-(piperidin-4-ylidenemethyl)benzoic acid?
2-(piperidin-4-ylidenemethyl)benzoic acid has a molecular weight of 217.27 g/mol, XLogP of 2.15, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(piperidin-4-ylidenemethyl)benzoic acid is sourced from PubChem (CID 167976622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).