4-methoxy-3-piperidin-4-ylbenzaldehyde

C13H17NO2 — CID 166844972

IUPAC4-methoxy-3-piperidin-4-ylbenzaldehyde
SMILESCOc1ccc(C=O)cc1C1CCNCC1
InChIInChI=1S/C13H17NO2/c1-16-13-3-2-10(9-15)8-12(13)11-4-6-14-7-5-11/h2-3,8-9,11,14H,4-7H2,1H3
InChIKeyACLARLNOWJWAEA-UHFFFAOYSA-N
MW219.28 g/mol
LogP1.97
Rot. Bonds3

About 4-methoxy-3-piperidin-4-ylbenzaldehyde

4-methoxy-3-piperidin-4-ylbenzaldehyde (PubChem CID 166844972) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is 4-methoxy-3-piperidin-4-ylbenzaldehyde.

Molecular Properties

Compound Name4-methoxy-3-piperidin-4-ylbenzaldehyde
PubChem CID166844972
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name4-methoxy-3-piperidin-4-ylbenzaldehyde
SMILESCOc1ccc(C=O)cc1C1CCNCC1
InChIInChI=1S/C13H17NO2/c1-16-13-3-2-10(9-15)8-12(13)11-4-6-14-7-5-11/h2-3,8-9,11,14H,4-7H2,1H3
InChIKeyACLARLNOWJWAEA-UHFFFAOYSA-N
XLogP1.97
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl 4-methoxy-3-piperidin-4-ylbenzoate
CID 139793069
4-[5-(2,2-dimethylpropyl)-2-methoxyphenyl]piperidine
CID 117408603
4-(2-methoxyphenyl)piperidine
CID 544738
tert-butyl 4-(5-formyl-2-methoxyphenyl)piperidine-1-carboxylate
CID 167311933
4-(5-tert-butyl-2-methoxyphenyl)azepane
CID 82302415
4-[2-methoxy-5-(oxolan-3-yl)phenyl]piperidine
CID 117408137
4-(3-azabicyclo[3.2.1]octan-8-yloxy)-3-methoxybenzaldehyde
CID 25222112
4-[tert-butyl(dimethyl)silyl]oxy-3-cyclopentylbenzaldehyde
CID 18352505
4-(4-chloro-2-methoxy-5-methylphenyl)piperidine
CID 83392391
2,5-dimethoxy-4-piperidin-4-ylpyridine
CID 84687688
4-(3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yl)piperidine
CID 117402861
3-(2-hydroxycyclohexyl)oxy-4-methoxybenzaldehyde
CID 60883976

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-piperidin-4-ylbenzaldehyde?
The IUPAC name of 4-methoxy-3-piperidin-4-ylbenzaldehyde (CID 166844972) is 4-methoxy-3-piperidin-4-ylbenzaldehyde.
What is the SMILES notation for 4-methoxy-3-piperidin-4-ylbenzaldehyde?
The canonical SMILES for 4-methoxy-3-piperidin-4-ylbenzaldehyde is COc1ccc(C=O)cc1C1CCNCC1.
What is the InChIKey of 4-methoxy-3-piperidin-4-ylbenzaldehyde?
The InChIKey is ACLARLNOWJWAEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c1-16-13-3-2-10(9-15)8-12(13)11-4-6-14-7-5-11/h2-3,8-9,11,14H,4-7H2,1H3.
What are the key properties of 4-methoxy-3-piperidin-4-ylbenzaldehyde?
4-methoxy-3-piperidin-4-ylbenzaldehyde has a molecular weight of 219.28 g/mol, XLogP of 1.97, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-piperidin-4-ylbenzaldehyde is sourced from PubChem (CID 166844972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).