3-bromo-5-ethoxy-4-(2-piperidin-1-ylethoxy)benzaldehyde

C16H22BrNO3 — CID 22685925

IUPAC3-bromo-5-ethoxy-4-(2-piperidin-1-ylethoxy)benzaldehyde
SMILESCCOc1cc(C=O)cc(Br)c1OCCN1CCCCC1
InChIInChI=1S/C16H22BrNO3/c1-2-20-15-11-13(12-19)10-14(17)16(15)21-9-8-18-6-4-3-5-7-18/h10-12H,2-9H2,1H3
InChIKeyGTQMZXPYGYTPBD-UHFFFAOYSA-N
MW356.26 g/mol
LogP3.53
Rot. Bonds7

About 3-bromo-5-ethoxy-4-(2-piperidin-1-ylethoxy)benzaldehyde

3-bromo-5-ethoxy-4-(2-piperidin-1-ylethoxy)benzaldehyde (PubChem CID 22685925) has the molecular formula C16H22BrNO3 and a molecular weight of 356.26 g/mol. Its IUPAC name is 3-bromo-5-ethoxy-4-(2-piperidin-1-ylethoxy)benzaldehyde.

Molecular Properties

Compound Name3-bromo-5-ethoxy-4-(2-piperidin-1-ylethoxy)benzaldehyde
PubChem CID22685925
Molecular FormulaC16H22BrNO3
Molecular Weight356.26 g/mol
Exact Mass355.08
IUPAC Name3-bromo-5-ethoxy-4-(2-piperidin-1-ylethoxy)benzaldehyde
SMILESCCOc1cc(C=O)cc(Br)c1OCCN1CCCCC1
InChIInChI=1S/C16H22BrNO3/c1-2-20-15-11-13(12-19)10-14(17)16(15)21-9-8-18-6-4-3-5-7-18/h10-12H,2-9H2,1H3
InChIKeyGTQMZXPYGYTPBD-UHFFFAOYSA-N
XLogP3.53
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.26
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-bromo-5-ethoxy-4-(2-piperidin-1-ylethoxy)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

3-bromo-5-ethoxy-4-(2-morpholin-4-ylethoxy)benzaldehyde
CID 22680018
3-amino-5-ethoxy-4-(2-pyrrolidin-1-ylethoxy)benzaldehyde
CID 82057247
3-bromo-5-ethoxy-4-(6-hydroxyhexoxy)benzaldehyde
CID 107703888
4-(2-bromo-6-ethoxy-4-formylphenoxy)butanenitrile
CID 43627019
3-bromo-5-ethoxy-4-[3-(oxolan-2-yl)propoxy]benzaldehyde
CID 65160798
3-bromo-5-ethoxy-4-(2,2,2-trifluoroethoxy)benzaldehyde
CID 43627010
3-bromo-5-ethoxy-4-(pyrimidin-2-ylmethoxy)benzaldehyde
CID 62700306
3-bromo-4-(cyclopropylmethoxymethoxy)-5-ethoxybenzaldehyde
CID 106929617
3-bromo-5-ethoxy-4-[(4-methylphenyl)methoxy]benzaldehyde
CID 882013
(3E)-3-[(3-bromo-5-ethoxy-4-propoxyphenyl)methylidene]-1-ethylpiperidin-4-one
CID 110532707
3-bromo-4-[(5-bromothiophen-2-yl)methoxy]-5-ethoxybenzaldehyde
CID 43627017
(5Z)-5-[(3-bromo-4,5-diethoxyphenyl)methylidene]-1,3-dimethyl-2-sulfanylideneimidazolidin-4-one
CID 1209944

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-ethoxy-4-(2-piperidin-1-ylethoxy)benzaldehyde?
The IUPAC name of 3-bromo-5-ethoxy-4-(2-piperidin-1-ylethoxy)benzaldehyde (CID 22685925) is 3-bromo-5-ethoxy-4-(2-piperidin-1-ylethoxy)benzaldehyde.
What is the SMILES notation for 3-bromo-5-ethoxy-4-(2-piperidin-1-ylethoxy)benzaldehyde?
The canonical SMILES for 3-bromo-5-ethoxy-4-(2-piperidin-1-ylethoxy)benzaldehyde is CCOc1cc(C=O)cc(Br)c1OCCN1CCCCC1.
What is the InChIKey of 3-bromo-5-ethoxy-4-(2-piperidin-1-ylethoxy)benzaldehyde?
The InChIKey is GTQMZXPYGYTPBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22BrNO3/c1-2-20-15-11-13(12-19)10-14(17)16(15)21-9-8-18-6-4-3-5-7-18/h10-12H,2-9H2,1H3.
What are the key properties of 3-bromo-5-ethoxy-4-(2-piperidin-1-ylethoxy)benzaldehyde?
3-bromo-5-ethoxy-4-(2-piperidin-1-ylethoxy)benzaldehyde has a molecular weight of 356.26 g/mol, XLogP of 3.53, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-ethoxy-4-(2-piperidin-1-ylethoxy)benzaldehyde is sourced from PubChem (CID 22685925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).