4-[2-(2-methylpiperidin-1-yl)ethoxy]benzaldehyde

C15H21NO2 — CID 6504237

IUPAC4-[2-(2-methylpiperidin-1-yl)ethoxy]benzaldehyde
SMILESCC1CCCCN1CCOc1ccc(C=O)cc1
InChIInChI=1S/C15H21NO2/c1-13-4-2-3-9-16(13)10-11-18-15-7-5-14(12-17)6-8-15/h5-8,12-13H,2-4,9-11H2,1H3
InChIKeyLHPGRQBHPDXRKT-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.75
Rot. Bonds5

About 4-[2-(2-methylpiperidin-1-yl)ethoxy]benzaldehyde

4-[2-(2-methylpiperidin-1-yl)ethoxy]benzaldehyde (PubChem CID 6504237) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is 4-[2-(2-methylpiperidin-1-yl)ethoxy]benzaldehyde.

Molecular Properties

Compound Name4-[2-(2-methylpiperidin-1-yl)ethoxy]benzaldehyde
PubChem CID6504237
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name4-[2-(2-methylpiperidin-1-yl)ethoxy]benzaldehyde
SMILESCC1CCCCN1CCOc1ccc(C=O)cc1
InChIInChI=1S/C15H21NO2/c1-13-4-2-3-9-16(13)10-11-18-15-7-5-14(12-17)6-8-15/h5-8,12-13H,2-4,9-11H2,1H3
InChIKeyLHPGRQBHPDXRKT-UHFFFAOYSA-N
XLogP2.75
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 ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-[2-(2-methylpiperidin-1-yl)ethoxy]benzaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-1-[2-(4-methoxyphenoxy)ethyl]-2-methylpiperidine
CID 166625466
3-ethoxy-4-[2-[(2S)-2-methylpiperidin-1-yl]ethoxy]benzaldehyde
CID 26365394
2-[4-[2-(2-methylpiperidin-1-yl)ethoxy]phenyl]ethanamine
CID 43253338
2-methyl-1-[3-(4-methylphenoxy)propyl]piperidine
CID 11948033
[4-[3-(2-methylpiperidin-1-yl)propoxy]phenyl]methanamine
CID 43253349
ethyl 2-amino-3-[4-[2-(2-methylpiperidin-1-yl)ethoxy]phenyl]propanoate
CID 170886095
methane;2-methyl-1-(5-phenoxypentyl)piperidine
CID 158922703
N-[2-(4-bromophenoxy)ethyl]-3-(2-methylpiperidin-1-yl)propan-1-amine
CID 60696322
4-[3-[(2S)-2-methylpyrrolidin-1-yl]propoxy]aniline
CID 57457557
4-[3-(3-methylpiperidin-1-yl)propoxy]benzaldehyde;hydrochloride
CID 2994240
2-methyl-1-[3-(4-pent-4-enylphenoxy)propyl]piperidine
CID 11857790
1-methoxy-N-[4-[2-[(2S)-2-methylpiperidin-1-yl]ethoxy]phenyl]cyclohexane-1-carboxamide
CID 100703803

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-methylpiperidin-1-yl)ethoxy]benzaldehyde?
The IUPAC name of 4-[2-(2-methylpiperidin-1-yl)ethoxy]benzaldehyde (CID 6504237) is 4-[2-(2-methylpiperidin-1-yl)ethoxy]benzaldehyde.
What is the SMILES notation for 4-[2-(2-methylpiperidin-1-yl)ethoxy]benzaldehyde?
The canonical SMILES for 4-[2-(2-methylpiperidin-1-yl)ethoxy]benzaldehyde is CC1CCCCN1CCOc1ccc(C=O)cc1.
What is the InChIKey of 4-[2-(2-methylpiperidin-1-yl)ethoxy]benzaldehyde?
The InChIKey is LHPGRQBHPDXRKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-13-4-2-3-9-16(13)10-11-18-15-7-5-14(12-17)6-8-15/h5-8,12-13H,2-4,9-11H2,1H3.
What are the key properties of 4-[2-(2-methylpiperidin-1-yl)ethoxy]benzaldehyde?
4-[2-(2-methylpiperidin-1-yl)ethoxy]benzaldehyde has a molecular weight of 247.34 g/mol, XLogP of 2.75, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-methylpiperidin-1-yl)ethoxy]benzaldehyde is sourced from PubChem (CID 6504237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).