3-(piperidin-4-ylidenemethyl)benzaldehyde

C13H15NO — CID 165456396

IUPAC3-(piperidin-4-ylidenemethyl)benzaldehyde
SMILESO=Cc1cccc(C=C2CCNCC2)c1
InChIInChI=1S/C13H15NO/c15-10-13-3-1-2-12(9-13)8-11-4-6-14-7-5-11/h1-3,8-10,14H,4-7H2
InChIKeyADWFAYCMJMOUTN-UHFFFAOYSA-N
MW201.27 g/mol
LogP2.27
Rot. Bonds2

About 3-(piperidin-4-ylidenemethyl)benzaldehyde

3-(piperidin-4-ylidenemethyl)benzaldehyde (PubChem CID 165456396) has the molecular formula C13H15NO and a molecular weight of 201.27 g/mol. Its IUPAC name is 3-(piperidin-4-ylidenemethyl)benzaldehyde.

Molecular Properties

Compound Name3-(piperidin-4-ylidenemethyl)benzaldehyde
PubChem CID165456396
Molecular FormulaC13H15NO
Molecular Weight201.27 g/mol
Exact Mass201.12
IUPAC Name3-(piperidin-4-ylidenemethyl)benzaldehyde
SMILESO=Cc1cccc(C=C2CCNCC2)c1
InChIInChI=1S/C13H15NO/c15-10-13-3-1-2-12(9-13)8-11-4-6-14-7-5-11/h1-3,8-10,14H,4-7H2
InChIKeyADWFAYCMJMOUTN-UHFFFAOYSA-N
XLogP2.27
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

benzene-1,3-dicarbaldehyde;carbon monoxide;chromium
CID 11161539
benzene-1,3-dicarbaldehyde;ethane
CID 91375977
3-[(3-bromophenyl)methylidene]pyrrolidine
CID 79880535
benzene-1,3-dicarbaldehyde;tetrakis(1H-pyrrole)
CID 174923777
piperidine;3-propan-2-ylbenzaldehyde
CID 144804603
3-[[3-(trifluoromethyl)phenyl]methylidene]pyrrolidine
CID 79880639
3-bromo-2-[3-(piperidin-4-ylidenemethyl)phenoxy]pyridine
CID 160748973
5-bromo-2-[3-(piperidin-4-ylidenemethyl)phenoxy]pyridine
CID 66876144
4-methyl-2-[3-(piperidin-4-ylidenemethyl)phenoxy]pyridine
CID 66876956
5-methyl-2-[3-(piperidin-4-ylidenemethyl)phenoxy]pyridine;hydrochloride
CID 66876166
1-chloro-3-(cyclopentylidenemethyl)benzene
CID 121281215
2-[3-(piperidin-4-ylidenemethyl)phenoxy]-5-(trifluoromethyl)piperidine
CID 162568208

Frequently Asked Questions

What is the IUPAC name of 3-(piperidin-4-ylidenemethyl)benzaldehyde?
The IUPAC name of 3-(piperidin-4-ylidenemethyl)benzaldehyde (CID 165456396) is 3-(piperidin-4-ylidenemethyl)benzaldehyde.
What is the SMILES notation for 3-(piperidin-4-ylidenemethyl)benzaldehyde?
The canonical SMILES for 3-(piperidin-4-ylidenemethyl)benzaldehyde is O=Cc1cccc(C=C2CCNCC2)c1.
What is the InChIKey of 3-(piperidin-4-ylidenemethyl)benzaldehyde?
The InChIKey is ADWFAYCMJMOUTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO/c15-10-13-3-1-2-12(9-13)8-11-4-6-14-7-5-11/h1-3,8-10,14H,4-7H2.
What are the key properties of 3-(piperidin-4-ylidenemethyl)benzaldehyde?
3-(piperidin-4-ylidenemethyl)benzaldehyde has a molecular weight of 201.27 g/mol, XLogP of 2.27, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(piperidin-4-ylidenemethyl)benzaldehyde is sourced from PubChem (CID 165456396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).