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

C13H16BrNO — CID 43364627

IUPAC4-bromo-2-(2-methylpiperidin-1-yl)benzaldehyde
SMILESCC1CCCCN1c1cc(Br)ccc1C=O
InChIInChI=1S/C13H16BrNO/c1-10-4-2-3-7-15(10)13-8-12(14)6-5-11(13)9-16/h5-6,8-10H,2-4,7H2,1H3
InChIKeyGRADSNDUFCRGOV-UHFFFAOYSA-N
MW282.18 g/mol
LogP3.64
Rot. Bonds2

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

4-bromo-2-(2-methylpiperidin-1-yl)benzaldehyde (PubChem CID 43364627) has the molecular formula C13H16BrNO and a molecular weight of 282.18 g/mol. Its IUPAC name is 4-bromo-2-(2-methylpiperidin-1-yl)benzaldehyde.

Molecular Properties

Compound Name4-bromo-2-(2-methylpiperidin-1-yl)benzaldehyde
PubChem CID43364627
Molecular FormulaC13H16BrNO
Molecular Weight282.18 g/mol
Exact Mass281.04
IUPAC Name4-bromo-2-(2-methylpiperidin-1-yl)benzaldehyde
SMILESCC1CCCCN1c1cc(Br)ccc1C=O
InChIInChI=1S/C13H16BrNO/c1-10-4-2-3-7-15(10)13-8-12(14)6-5-11(13)9-16/h5-6,8-10H,2-4,7H2,1H3
InChIKeyGRADSNDUFCRGOV-UHFFFAOYSA-N
XLogP3.64
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.18
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-bromo-2-(2-methylpiperidin-1-yl)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-bromo-2-(2-ethylpiperidin-1-yl)benzaldehyde
CID 43266612
1-[4-bromo-2-(2-methylazepan-1-yl)phenyl]ethanone
CID 82967461
(2R)-1-(4-bromo-2-chlorophenyl)-2-methylpiperidine
CID 97103063
5-chloro-2-(2-methylazepan-1-yl)benzaldehyde
CID 114844359
1-[5-bromo-2-(2-methylazepan-1-yl)phenyl]ethanol
CID 82970582
3-fluoro-4-(2-methylpiperidin-1-yl)benzaldehyde
CID 43200239
6-bromo-3-(2-methylpiperidin-1-yl)thiochromen-4-one
CID 43957309
5-bromo-2-pyrrolidin-1-ylbenzaldehyde
CID 23091126
2-methyl-4-(2-methylpyrrolidin-1-yl)benzaldehyde
CID 62135927
4-bromo-2-methoxybenzaldehyde;2-methoxy-4-(2-methylpyrrolidin-1-yl)benzaldehyde;2-methylpyrrolidine
CID 158749297
5-bromo-3-[(2S)-2-methylpiperidin-1-yl]-2-nitropyridine
CID 166564417
4-bromo-2-(2-methylpyrrolidin-1-yl)benzenecarboximidamide
CID 114904446

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-(2-methylpiperidin-1-yl)benzaldehyde?
The IUPAC name of 4-bromo-2-(2-methylpiperidin-1-yl)benzaldehyde (CID 43364627) is 4-bromo-2-(2-methylpiperidin-1-yl)benzaldehyde.
What is the SMILES notation for 4-bromo-2-(2-methylpiperidin-1-yl)benzaldehyde?
The canonical SMILES for 4-bromo-2-(2-methylpiperidin-1-yl)benzaldehyde is CC1CCCCN1c1cc(Br)ccc1C=O.
What is the InChIKey of 4-bromo-2-(2-methylpiperidin-1-yl)benzaldehyde?
The InChIKey is GRADSNDUFCRGOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrNO/c1-10-4-2-3-7-15(10)13-8-12(14)6-5-11(13)9-16/h5-6,8-10H,2-4,7H2,1H3.
What are the key properties of 4-bromo-2-(2-methylpiperidin-1-yl)benzaldehyde?
4-bromo-2-(2-methylpiperidin-1-yl)benzaldehyde has a molecular weight of 282.18 g/mol, XLogP of 3.64, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-(2-methylpiperidin-1-yl)benzaldehyde is sourced from PubChem (CID 43364627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).