4-methoxy-2-(2-piperidin-1-ylethoxy)benzaldehyde

C15H21NO3 — CID 22685969

IUPAC4-methoxy-2-(2-piperidin-1-ylethoxy)benzaldehyde
SMILESCOc1ccc(C=O)c(OCCN2CCCCC2)c1
InChIInChI=1S/C15H21NO3/c1-18-14-6-5-13(12-17)15(11-14)19-10-9-16-7-3-2-4-8-16/h5-6,11-12H,2-4,7-10H2,1H3
InChIKeyLULWVLBNHJIMBN-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.37
Rot. Bonds6

About 4-methoxy-2-(2-piperidin-1-ylethoxy)benzaldehyde

4-methoxy-2-(2-piperidin-1-ylethoxy)benzaldehyde (PubChem CID 22685969) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 4-methoxy-2-(2-piperidin-1-ylethoxy)benzaldehyde.

Molecular Properties

Compound Name4-methoxy-2-(2-piperidin-1-ylethoxy)benzaldehyde
PubChem CID22685969
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name4-methoxy-2-(2-piperidin-1-ylethoxy)benzaldehyde
SMILESCOc1ccc(C=O)c(OCCN2CCCCC2)c1
InChIInChI=1S/C15H21NO3/c1-18-14-6-5-13(12-17)15(11-14)19-10-9-16-7-3-2-4-8-16/h5-6,11-12H,2-4,7-10H2,1H3
InChIKeyLULWVLBNHJIMBN-UHFFFAOYSA-N
XLogP2.37
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(Z)-3-[4-methoxy-2-(2-piperidin-1-ylethoxy)phenyl]-2-phenylprop-2-enoic acid
CID 20993089
4-methoxy-2-(2-piperidin-1-ylethoxy)benzoic acid
CID 22687707
1-[2-(4-methoxyphenoxy)ethyl]azepane
CID 888209
[5-methoxy-2-(2-pyrrolidin-1-ylethoxy)phenyl]methanamine
CID 60879649
5-hydroxy-2-(2-piperidin-1-ylethoxy)benzaldehyde
CID 89110267
2-[3-(dimethylamino)propoxy]-4-methoxybenzaldehyde
CID 22684190
1-[5-methoxy-2-(2-piperidin-1-ylethoxy)phenyl]propan-2-amine
CID 60905233
2-(5-hydroxypentoxy)-4-methoxybenzaldehyde
CID 55053388
1-[5-methoxy-2-(2-pyrrolidin-1-ylethoxy)phenyl]-N-methylmethanamine
CID 60878143
2-[2-(2-hydroxyethoxy)ethoxy]-4-methoxybenzaldehyde
CID 61269601
3-(2-formyl-5-methoxyphenoxy)propanamide
CID 61268492
2-piperidin-1-ylethyl 2,4-dimethoxybenzoate
CID 838965

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-(2-piperidin-1-ylethoxy)benzaldehyde?
The IUPAC name of 4-methoxy-2-(2-piperidin-1-ylethoxy)benzaldehyde (CID 22685969) is 4-methoxy-2-(2-piperidin-1-ylethoxy)benzaldehyde.
What is the SMILES notation for 4-methoxy-2-(2-piperidin-1-ylethoxy)benzaldehyde?
The canonical SMILES for 4-methoxy-2-(2-piperidin-1-ylethoxy)benzaldehyde is COc1ccc(C=O)c(OCCN2CCCCC2)c1.
What is the InChIKey of 4-methoxy-2-(2-piperidin-1-ylethoxy)benzaldehyde?
The InChIKey is LULWVLBNHJIMBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-18-14-6-5-13(12-17)15(11-14)19-10-9-16-7-3-2-4-8-16/h5-6,11-12H,2-4,7-10H2,1H3.
What are the key properties of 4-methoxy-2-(2-piperidin-1-ylethoxy)benzaldehyde?
4-methoxy-2-(2-piperidin-1-ylethoxy)benzaldehyde has a molecular weight of 263.34 g/mol, XLogP of 2.37, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-(2-piperidin-1-ylethoxy)benzaldehyde is sourced from PubChem (CID 22685969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).