2,3-dimethoxy-5-(piperidin-4-ylmethyl)benzaldehyde

C15H21NO3 — CID 117413198

IUPAC2,3-dimethoxy-5-(piperidin-4-ylmethyl)benzaldehyde
SMILESCOc1cc(CC2CCNCC2)cc(C=O)c1OC
InChIInChI=1S/C15H21NO3/c1-18-14-9-12(7-11-3-5-16-6-4-11)8-13(10-17)15(14)19-2/h8-11,16H,3-7H2,1-2H3
InChIKeyYRNPBWILGAWPCZ-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.06
Rot. Bonds5

About 2,3-dimethoxy-5-(piperidin-4-ylmethyl)benzaldehyde

2,3-dimethoxy-5-(piperidin-4-ylmethyl)benzaldehyde (PubChem CID 117413198) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 2,3-dimethoxy-5-(piperidin-4-ylmethyl)benzaldehyde.

Molecular Properties

Compound Name2,3-dimethoxy-5-(piperidin-4-ylmethyl)benzaldehyde
PubChem CID117413198
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name2,3-dimethoxy-5-(piperidin-4-ylmethyl)benzaldehyde
SMILESCOc1cc(CC2CCNCC2)cc(C=O)c1OC
InChIInChI=1S/C15H21NO3/c1-18-14-9-12(7-11-3-5-16-6-4-11)8-13(10-17)15(14)19-2/h8-11,16H,3-7H2,1-2H3
InChIKeyYRNPBWILGAWPCZ-UHFFFAOYSA-N
XLogP2.06
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,6-dimethoxy-4-(piperidin-4-ylmethyl)aniline
CID 117379596
4-[(4-cyclopropyl-3-methoxyphenyl)methyl]piperidine
CID 117366089
4-[(3-fluoro-4-methoxy-5-methylphenyl)methyl]piperidine
CID 84798690
4-[(2,3-dimethoxy-5-methylphenyl)methyl]piperidine
CID 117377234
4-[(5-fluoro-2,3-dimethoxyphenyl)methyl]piperidine
CID 117386378
3,4-dimethoxy-5-(piperidin-4-ylmethyl)phenol
CID 117381520
2-methoxy-6-nitro-4-(piperidin-4-ylmethyl)phenol
CID 116987626
5-[(1-aminocyclopropyl)methyl]-2,3-dimethoxybenzaldehyde
CID 117342405
4-[(3-fluoro-2,4-dimethoxyphenyl)methyl]piperidine
CID 117386375
2-methoxy-5-(piperidin-4-ylmethyl)benzenesulfonamide;hydrochloride
CID 18539168
4-[(2-fluoro-4,5-dimethoxyphenyl)methyl]piperidine
CID 117386379
4-[(2-cyclobutyloxy-3-methoxyphenyl)methyl]piperidine
CID 117441033

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethoxy-5-(piperidin-4-ylmethyl)benzaldehyde?
The IUPAC name of 2,3-dimethoxy-5-(piperidin-4-ylmethyl)benzaldehyde (CID 117413198) is 2,3-dimethoxy-5-(piperidin-4-ylmethyl)benzaldehyde.
What is the SMILES notation for 2,3-dimethoxy-5-(piperidin-4-ylmethyl)benzaldehyde?
The canonical SMILES for 2,3-dimethoxy-5-(piperidin-4-ylmethyl)benzaldehyde is COc1cc(CC2CCNCC2)cc(C=O)c1OC.
What is the InChIKey of 2,3-dimethoxy-5-(piperidin-4-ylmethyl)benzaldehyde?
The InChIKey is YRNPBWILGAWPCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-18-14-9-12(7-11-3-5-16-6-4-11)8-13(10-17)15(14)19-2/h8-11,16H,3-7H2,1-2H3.
What are the key properties of 2,3-dimethoxy-5-(piperidin-4-ylmethyl)benzaldehyde?
2,3-dimethoxy-5-(piperidin-4-ylmethyl)benzaldehyde has a molecular weight of 263.34 g/mol, XLogP of 2.06, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethoxy-5-(piperidin-4-ylmethyl)benzaldehyde is sourced from PubChem (CID 117413198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).