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

C13H17NO2 — CID 117312812

IUPAC4-hydroxy-2-(piperidin-4-ylmethyl)benzaldehyde
SMILESO=Cc1ccc(O)cc1CC1CCNCC1
InChIInChI=1S/C13H17NO2/c15-9-11-1-2-13(16)8-12(11)7-10-3-5-14-6-4-10/h1-2,8-10,14,16H,3-7H2
InChIKeySRGFGPJXUHVZBD-UHFFFAOYSA-N
MW219.28 g/mol
LogP1.75
Rot. Bonds3

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

4-hydroxy-2-(piperidin-4-ylmethyl)benzaldehyde (PubChem CID 117312812) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is 4-hydroxy-2-(piperidin-4-ylmethyl)benzaldehyde.

Molecular Properties

Compound Name4-hydroxy-2-(piperidin-4-ylmethyl)benzaldehyde
PubChem CID117312812
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name4-hydroxy-2-(piperidin-4-ylmethyl)benzaldehyde
SMILESO=Cc1ccc(O)cc1CC1CCNCC1
InChIInChI=1S/C13H17NO2/c15-9-11-1-2-13(16)8-12(11)7-10-3-5-14-6-4-10/h1-2,8-10,14,16H,3-7H2
InChIKeySRGFGPJXUHVZBD-UHFFFAOYSA-N
XLogP1.75
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(piperidin-4-ylmethyl)phenol
CID 17039495
4-methyl-2-(piperidin-3-ylmethyl)benzaldehyde
CID 117309812
4-fluoro-3-methyl-5-(piperidin-4-ylmethyl)phenol
CID 117320386
2,3-dimethoxy-5-(piperidin-4-ylmethyl)benzaldehyde
CID 117413198
3,4-dimethoxy-5-(piperidin-4-ylmethyl)phenol
CID 117381520
4,5-dimethyl-2-(piperidin-4-ylmethyl)phenol
CID 84786987
4-(azepan-4-ylmethyl)phenol
CID 83261604
4-nitro-2-(piperidin-4-ylmethyl)phenol
CID 117344886
2-methyl-3-(2-piperidin-4-ylethyl)benzaldehyde
CID 54108887
3-(azepan-4-ylmethyl)phenol
CID 83261812
5-(piperidin-4-ylmethyl)-1,2-oxazole-4-carbaldehyde
CID 115093438
2,5-difluoro-4-(piperidin-4-ylmethyl)phenol
CID 117326872

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2-(piperidin-4-ylmethyl)benzaldehyde?
The IUPAC name of 4-hydroxy-2-(piperidin-4-ylmethyl)benzaldehyde (CID 117312812) is 4-hydroxy-2-(piperidin-4-ylmethyl)benzaldehyde.
What is the SMILES notation for 4-hydroxy-2-(piperidin-4-ylmethyl)benzaldehyde?
The canonical SMILES for 4-hydroxy-2-(piperidin-4-ylmethyl)benzaldehyde is O=Cc1ccc(O)cc1CC1CCNCC1.
What is the InChIKey of 4-hydroxy-2-(piperidin-4-ylmethyl)benzaldehyde?
The InChIKey is SRGFGPJXUHVZBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c15-9-11-1-2-13(16)8-12(11)7-10-3-5-14-6-4-10/h1-2,8-10,14,16H,3-7H2.
What are the key properties of 4-hydroxy-2-(piperidin-4-ylmethyl)benzaldehyde?
4-hydroxy-2-(piperidin-4-ylmethyl)benzaldehyde has a molecular weight of 219.28 g/mol, XLogP of 1.75, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2-(piperidin-4-ylmethyl)benzaldehyde is sourced from PubChem (CID 117312812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).