4-(2-hydroxyphenyl)-1-methylpiperidine-4-carbaldehyde

C13H17NO2 — CID 88542986

IUPAC4-(2-hydroxyphenyl)-1-methylpiperidine-4-carbaldehyde
SMILESCN1CCC(C=O)(c2ccccc2O)CC1
InChIInChI=1S/C13H17NO2/c1-14-8-6-13(10-15,7-9-14)11-4-2-3-5-12(11)16/h2-5,10,16H,6-9H2,1H3
InChIKeyMBYOMJIHIKJQEF-UHFFFAOYSA-N
MW219.28 g/mol
LogP1.55
Rot. Bonds2

About 4-(2-hydroxyphenyl)-1-methylpiperidine-4-carbaldehyde

4-(2-hydroxyphenyl)-1-methylpiperidine-4-carbaldehyde (PubChem CID 88542986) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is 4-(2-hydroxyphenyl)-1-methylpiperidine-4-carbaldehyde.

Molecular Properties

Compound Name4-(2-hydroxyphenyl)-1-methylpiperidine-4-carbaldehyde
PubChem CID88542986
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name4-(2-hydroxyphenyl)-1-methylpiperidine-4-carbaldehyde
SMILESCN1CCC(C=O)(c2ccccc2O)CC1
InChIInChI=1S/C13H17NO2/c1-14-8-6-13(10-15,7-9-14)11-4-2-3-5-12(11)16/h2-5,10,16H,6-9H2,1H3
InChIKeyMBYOMJIHIKJQEF-UHFFFAOYSA-N
XLogP1.55
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(2-hydroxyphenyl)-1-methylpiperidine-4-carbaldehyde?
The IUPAC name of 4-(2-hydroxyphenyl)-1-methylpiperidine-4-carbaldehyde (CID 88542986) is 4-(2-hydroxyphenyl)-1-methylpiperidine-4-carbaldehyde.
What is the SMILES notation for 4-(2-hydroxyphenyl)-1-methylpiperidine-4-carbaldehyde?
The canonical SMILES for 4-(2-hydroxyphenyl)-1-methylpiperidine-4-carbaldehyde is CN1CCC(C=O)(c2ccccc2O)CC1.
What is the InChIKey of 4-(2-hydroxyphenyl)-1-methylpiperidine-4-carbaldehyde?
The InChIKey is MBYOMJIHIKJQEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c1-14-8-6-13(10-15,7-9-14)11-4-2-3-5-12(11)16/h2-5,10,16H,6-9H2,1H3.
What are the key properties of 4-(2-hydroxyphenyl)-1-methylpiperidine-4-carbaldehyde?
4-(2-hydroxyphenyl)-1-methylpiperidine-4-carbaldehyde has a molecular weight of 219.28 g/mol, XLogP of 1.55, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-hydroxyphenyl)-1-methylpiperidine-4-carbaldehyde is sourced from PubChem (CID 88542986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).