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

C17H25NO3 — CID 26365394

IUPAC3-ethoxy-4-[2-[(2S)-2-methylpiperidin-1-yl]ethoxy]benzaldehyde
SMILESCCOc1cc(C=O)ccc1OCCN1CCCC[C@@H]1C
InChIInChI=1S/C17H25NO3/c1-3-20-17-12-15(13-19)7-8-16(17)21-11-10-18-9-5-4-6-14(18)2/h7-8,12-14H,3-6,9-11H2,1-2H3/t14-/m0/s1
InChIKeyZZKZXXSEENWWQU-AWEZNQCLSA-N
MW291.39 g/mol
LogP3.15
Rot. Bonds7

About 3-ethoxy-4-[2-[(2S)-2-methylpiperidin-1-yl]ethoxy]benzaldehyde

3-ethoxy-4-[2-[(2S)-2-methylpiperidin-1-yl]ethoxy]benzaldehyde (PubChem CID 26365394) has the molecular formula C17H25NO3 and a molecular weight of 291.39 g/mol. Its IUPAC name is 3-ethoxy-4-[2-[(2S)-2-methylpiperidin-1-yl]ethoxy]benzaldehyde.

Molecular Properties

Compound Name3-ethoxy-4-[2-[(2S)-2-methylpiperidin-1-yl]ethoxy]benzaldehyde
PubChem CID26365394
Molecular FormulaC17H25NO3
Molecular Weight291.39 g/mol
Exact Mass291.18
IUPAC Name3-ethoxy-4-[2-[(2S)-2-methylpiperidin-1-yl]ethoxy]benzaldehyde
SMILESCCOc1cc(C=O)ccc1OCCN1CCCC[C@@H]1C
InChIInChI=1S/C17H25NO3/c1-3-20-17-12-15(13-19)7-8-16(17)21-11-10-18-9-5-4-6-14(18)2/h7-8,12-14H,3-6,9-11H2,1-2H3/t14-/m0/s1
InChIKeyZZKZXXSEENWWQU-AWEZNQCLSA-N
XLogP3.15
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-ethoxy-4-[2-[(2S)-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

4-[2-(2-methylpiperidin-1-yl)ethoxy]benzaldehyde
CID 6504237
4-[2-[(2S,6S)-2,6-dimethylpiperidin-1-yl]ethoxy]-3-methoxybenzaldehyde
CID 99991929
3-ethoxy-4-[4-[(3R)-3-methylpiperidin-1-yl]butoxy]benzaldehyde
CID 7379385
3-ethoxy-4-[6-(2-ethoxy-4-formylphenoxy)hex-3-enoxy]benzaldehyde
CID 168878587
3-ethoxy-4-(4-methylhex-3-enoxy)benzaldehyde
CID 168878563
2-[2-(2-methylpiperidin-1-yl)ethoxy]benzoic acid
CID 23009931
3-ethoxy-4-(4-pyrrolidin-1-ylbutan-2-yloxy)benzaldehyde
CID 82037895
3-(2-ethoxy-4-formylphenoxy)propanoic acid
CID 28701161
3-ethoxy-4-(3-methylsulfanylpropoxy)benzaldehyde
CID 115650903
N-[[3-ethoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]methylidene]hydroxylamine
CID 20988948
3-ethoxy-4-[2-(2-phenylphenoxy)ethoxy]benzaldehyde
CID 22681141
(2R)-1-[2-(4-methoxyphenoxy)ethyl]-2-methylpiperidine
CID 166625466

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-4-[2-[(2S)-2-methylpiperidin-1-yl]ethoxy]benzaldehyde?
The IUPAC name of 3-ethoxy-4-[2-[(2S)-2-methylpiperidin-1-yl]ethoxy]benzaldehyde (CID 26365394) is 3-ethoxy-4-[2-[(2S)-2-methylpiperidin-1-yl]ethoxy]benzaldehyde.
What is the SMILES notation for 3-ethoxy-4-[2-[(2S)-2-methylpiperidin-1-yl]ethoxy]benzaldehyde?
The canonical SMILES for 3-ethoxy-4-[2-[(2S)-2-methylpiperidin-1-yl]ethoxy]benzaldehyde is CCOc1cc(C=O)ccc1OCCN1CCCC[C@@H]1C.
What is the InChIKey of 3-ethoxy-4-[2-[(2S)-2-methylpiperidin-1-yl]ethoxy]benzaldehyde?
The InChIKey is ZZKZXXSEENWWQU-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H25NO3/c1-3-20-17-12-15(13-19)7-8-16(17)21-11-10-18-9-5-4-6-14(18)2/h7-8,12-14H,3-6,9-11H2,1-2H3/t14-/m0/s1.
What are the key properties of 3-ethoxy-4-[2-[(2S)-2-methylpiperidin-1-yl]ethoxy]benzaldehyde?
3-ethoxy-4-[2-[(2S)-2-methylpiperidin-1-yl]ethoxy]benzaldehyde has a molecular weight of 291.39 g/mol, XLogP of 3.15, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-4-[2-[(2S)-2-methylpiperidin-1-yl]ethoxy]benzaldehyde is sourced from PubChem (CID 26365394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).