5-hydroxy-4-methoxy-2-(piperidin-2-ylmethyl)benzaldehyde

C14H19NO3 — CID 117376557

IUPAC5-hydroxy-4-methoxy-2-(piperidin-2-ylmethyl)benzaldehyde
SMILESCOc1cc(CC2CCCCN2)c(C=O)cc1O
InChIInChI=1S/C14H19NO3/c1-18-14-8-10(11(9-16)7-13(14)17)6-12-4-2-3-5-15-12/h7-9,12,15,17H,2-6H2,1H3
InChIKeyBYBOJOBBHZWVDL-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.90
Rot. Bonds4

About 5-hydroxy-4-methoxy-2-(piperidin-2-ylmethyl)benzaldehyde

5-hydroxy-4-methoxy-2-(piperidin-2-ylmethyl)benzaldehyde (PubChem CID 117376557) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is 5-hydroxy-4-methoxy-2-(piperidin-2-ylmethyl)benzaldehyde.

Molecular Properties

Compound Name5-hydroxy-4-methoxy-2-(piperidin-2-ylmethyl)benzaldehyde
PubChem CID117376557
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Name5-hydroxy-4-methoxy-2-(piperidin-2-ylmethyl)benzaldehyde
SMILESCOc1cc(CC2CCCCN2)c(C=O)cc1O
InChIInChI=1S/C14H19NO3/c1-18-14-8-10(11(9-16)7-13(14)17)6-12-4-2-3-5-15-12/h7-9,12,15,17H,2-6H2,1H3
InChIKeyBYBOJOBBHZWVDL-UHFFFAOYSA-N
XLogP1.90
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-hydroxy-4-methoxy-2-(pyrrolidin-2-ylmethyl)benzaldehyde
CID 117342283
5-bromo-4-methoxy-2-(pyrrolidin-2-ylmethyl)phenol
CID 117460798
4-methoxy-2,3-dimethyl-6-(pyrrolidin-2-ylmethyl)phenol
CID 117343303
4-chloro-5-methoxy-2-(pyrrolidin-2-ylmethyl)phenol
CID 117356194
2-methoxy-4-methyl-6-(pyrrolidin-2-ylmethyl)phenol
CID 117316526
2-methoxy-3,4-dimethyl-5-(piperidin-2-ylmethyl)phenol
CID 117377144
2-[(3-fluoro-2,4,5-trimethoxyphenyl)methyl]piperidine
CID 117455554
2-[(2,5-difluoro-3-methoxyphenyl)methyl]piperidine
CID 117355169
2-[(2,3,5-trimethoxyphenyl)methyl]piperidine
CID 117417667
2-[(2,4-dimethoxyphenyl)methyl]piperidine
CID 62800646
2-[[4-(difluoromethyl)-2,5-dimethoxyphenyl]methyl]piperidine
CID 117459511
2-methoxy-3-methyl-5-(piperidin-2-ylmethyl)phenol
CID 117342833

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-4-methoxy-2-(piperidin-2-ylmethyl)benzaldehyde?
The IUPAC name of 5-hydroxy-4-methoxy-2-(piperidin-2-ylmethyl)benzaldehyde (CID 117376557) is 5-hydroxy-4-methoxy-2-(piperidin-2-ylmethyl)benzaldehyde.
What is the SMILES notation for 5-hydroxy-4-methoxy-2-(piperidin-2-ylmethyl)benzaldehyde?
The canonical SMILES for 5-hydroxy-4-methoxy-2-(piperidin-2-ylmethyl)benzaldehyde is COc1cc(CC2CCCCN2)c(C=O)cc1O.
What is the InChIKey of 5-hydroxy-4-methoxy-2-(piperidin-2-ylmethyl)benzaldehyde?
The InChIKey is BYBOJOBBHZWVDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-18-14-8-10(11(9-16)7-13(14)17)6-12-4-2-3-5-15-12/h7-9,12,15,17H,2-6H2,1H3.
What are the key properties of 5-hydroxy-4-methoxy-2-(piperidin-2-ylmethyl)benzaldehyde?
5-hydroxy-4-methoxy-2-(piperidin-2-ylmethyl)benzaldehyde has a molecular weight of 249.31 g/mol, XLogP of 1.90, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-4-methoxy-2-(piperidin-2-ylmethyl)benzaldehyde is sourced from PubChem (CID 117376557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).