1-[2-(2-methylphenoxy)ethyl]piperidine-2-carbaldehyde

C15H21NO2 — CID 62654078

IUPAC1-[2-(2-methylphenoxy)ethyl]piperidine-2-carbaldehyde
SMILESCc1ccccc1OCCN1CCCCC1C=O
InChIInChI=1S/C15H21NO2/c1-13-6-2-3-8-15(13)18-11-10-16-9-5-4-7-14(16)12-17/h2-3,6,8,12,14H,4-5,7,9-11H2,1H3
InChIKeyCPHNTMZTJQTWJK-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.43
Rot. Bonds5

About 1-[2-(2-methylphenoxy)ethyl]piperidine-2-carbaldehyde

1-[2-(2-methylphenoxy)ethyl]piperidine-2-carbaldehyde (PubChem CID 62654078) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is 1-[2-(2-methylphenoxy)ethyl]piperidine-2-carbaldehyde.

Molecular Properties

Compound Name1-[2-(2-methylphenoxy)ethyl]piperidine-2-carbaldehyde
PubChem CID62654078
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name1-[2-(2-methylphenoxy)ethyl]piperidine-2-carbaldehyde
SMILESCc1ccccc1OCCN1CCCCC1C=O
InChIInChI=1S/C15H21NO2/c1-13-6-2-3-8-15(13)18-11-10-16-9-5-4-7-14(16)12-17/h2-3,6,8,12,14H,4-5,7,9-11H2,1H3
InChIKeyCPHNTMZTJQTWJK-UHFFFAOYSA-N
XLogP2.43
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[1-[2-(2-methylphenoxy)ethyl]piperidin-2-yl]ethanol
CID 60690162
1-(3-phenoxypropyl)piperidine-2-carbaldehyde
CID 62655361
2-methyl-1-[6-(2-methylphenoxy)hexyl]piperidine
CID 16616246
3-[1-[2-(2-methylphenoxy)ethyl]pyrrolidin-2-yl]propan-1-ol
CID 62467802
ethyl 1-[2-(2-methylphenoxy)ethyl]pyrrolidine-2-carboxylate
CID 62028747
1-[2-(2-methylphenoxy)ethyl]azepane;hydrochloride
CID 71576016
1-[3-(3-methylphenoxy)propyl]piperidine-2-carbaldehyde
CID 62654960
1-methyl-2-[2-(2-methylphenoxy)ethyl]pyrrolidine
CID 23339324
1-(2-phenylsulfanylethyl)piperidine-2-carbaldehyde
CID 62654968
cyclobutyl-[4-[2-(2-methylphenoxy)ethyl]piperazin-1-yl]methanone
CID 110410080
3-[1-[3-(2-methylphenoxy)propyl]pyrrolidin-2-yl]propan-1-ol
CID 111103083
1-[2-(2-methylphenoxy)ethyl]-3-[3-(2-methylpiperidin-1-yl)propyl]urea
CID 60547514

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methylphenoxy)ethyl]piperidine-2-carbaldehyde?
The IUPAC name of 1-[2-(2-methylphenoxy)ethyl]piperidine-2-carbaldehyde (CID 62654078) is 1-[2-(2-methylphenoxy)ethyl]piperidine-2-carbaldehyde.
What is the SMILES notation for 1-[2-(2-methylphenoxy)ethyl]piperidine-2-carbaldehyde?
The canonical SMILES for 1-[2-(2-methylphenoxy)ethyl]piperidine-2-carbaldehyde is Cc1ccccc1OCCN1CCCCC1C=O.
What is the InChIKey of 1-[2-(2-methylphenoxy)ethyl]piperidine-2-carbaldehyde?
The InChIKey is CPHNTMZTJQTWJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-13-6-2-3-8-15(13)18-11-10-16-9-5-4-7-14(16)12-17/h2-3,6,8,12,14H,4-5,7,9-11H2,1H3.
What are the key properties of 1-[2-(2-methylphenoxy)ethyl]piperidine-2-carbaldehyde?
1-[2-(2-methylphenoxy)ethyl]piperidine-2-carbaldehyde has a molecular weight of 247.34 g/mol, XLogP of 2.43, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methylphenoxy)ethyl]piperidine-2-carbaldehyde is sourced from PubChem (CID 62654078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).