4-bromo-2-(2-ethylpiperidin-1-yl)benzaldehyde

C14H18BrNO — CID 43266612

IUPAC4-bromo-2-(2-ethylpiperidin-1-yl)benzaldehyde
SMILESCCC1CCCCN1c1cc(Br)ccc1C=O
InChIInChI=1S/C14H18BrNO/c1-2-13-5-3-4-8-16(13)14-9-12(15)7-6-11(14)10-17/h6-7,9-10,13H,2-5,8H2,1H3
InChIKeyYAHRTIYLFMRZKR-UHFFFAOYSA-N
MW296.21 g/mol
LogP4.03
Rot. Bonds3

About 4-bromo-2-(2-ethylpiperidin-1-yl)benzaldehyde

4-bromo-2-(2-ethylpiperidin-1-yl)benzaldehyde (PubChem CID 43266612) has the molecular formula C14H18BrNO and a molecular weight of 296.21 g/mol. Its IUPAC name is 4-bromo-2-(2-ethylpiperidin-1-yl)benzaldehyde.

Molecular Properties

Compound Name4-bromo-2-(2-ethylpiperidin-1-yl)benzaldehyde
PubChem CID43266612
Molecular FormulaC14H18BrNO
Molecular Weight296.21 g/mol
Exact Mass295.06
IUPAC Name4-bromo-2-(2-ethylpiperidin-1-yl)benzaldehyde
SMILESCCC1CCCCN1c1cc(Br)ccc1C=O
InChIInChI=1S/C14H18BrNO/c1-2-13-5-3-4-8-16(13)14-9-12(15)7-6-11(14)10-17/h6-7,9-10,13H,2-5,8H2,1H3
InChIKeyYAHRTIYLFMRZKR-UHFFFAOYSA-N
XLogP4.03
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.21
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-bromo-2-(2-methylpiperidin-1-yl)benzaldehyde
CID 43364627
5-chloro-2-(2-ethylpiperidin-1-yl)benzaldehyde
CID 114843917
4-(2-ethylpiperidin-1-yl)-2-methylbenzaldehyde
CID 55038666
2-(2-ethylpyrrolidin-1-yl)benzaldehyde
CID 60973642
4-(2-ethylazepan-1-yl)-2-methylbenzaldehyde
CID 104690453
N-[[4-bromo-2-(2-ethylpyrrolidin-1-yl)phenyl]methyl]propan-1-amine
CID 54885884
6-bromo-3-[(2R)-2-ethylpiperidin-1-yl]thiochromen-4-one
CID 7482662
3-chloro-4-(2-ethylazepan-1-yl)benzaldehyde
CID 104690433
1-[4-bromo-2-(2-ethylpyrrolidin-1-yl)phenyl]propan-2-amine
CID 63785737
4-bromo-2-[cyclopentyl(ethyl)amino]benzaldehyde
CID 43541309
4-(2-ethylpyrrolidin-1-yl)-3-fluorobenzaldehyde
CID 60973753
[1-(2-amino-5-bromophenyl)piperidin-2-yl]methanol
CID 65342923

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-(2-ethylpiperidin-1-yl)benzaldehyde?
The IUPAC name of 4-bromo-2-(2-ethylpiperidin-1-yl)benzaldehyde (CID 43266612) is 4-bromo-2-(2-ethylpiperidin-1-yl)benzaldehyde.
What is the SMILES notation for 4-bromo-2-(2-ethylpiperidin-1-yl)benzaldehyde?
The canonical SMILES for 4-bromo-2-(2-ethylpiperidin-1-yl)benzaldehyde is CCC1CCCCN1c1cc(Br)ccc1C=O.
What is the InChIKey of 4-bromo-2-(2-ethylpiperidin-1-yl)benzaldehyde?
The InChIKey is YAHRTIYLFMRZKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrNO/c1-2-13-5-3-4-8-16(13)14-9-12(15)7-6-11(14)10-17/h6-7,9-10,13H,2-5,8H2,1H3.
What are the key properties of 4-bromo-2-(2-ethylpiperidin-1-yl)benzaldehyde?
4-bromo-2-(2-ethylpiperidin-1-yl)benzaldehyde has a molecular weight of 296.21 g/mol, XLogP of 4.03, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-(2-ethylpiperidin-1-yl)benzaldehyde is sourced from PubChem (CID 43266612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).