1-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]piperidine-2-carbaldehyde

C16H31NO4 — CID 104566931

IUPAC1-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]piperidine-2-carbaldehyde
SMILESCCCCOCCOCCOCCN1CCCCC1C=O
InChIInChI=1S/C16H31NO4/c1-2-3-9-19-11-13-21-14-12-20-10-8-17-7-5-4-6-16(17)15-18/h15-16H,2-14H2,1H3
InChIKeySCVWYPSUKFBEER-UHFFFAOYSA-N
MW301.43 g/mol
LogP1.89
Rot. Bonds13

About 1-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]piperidine-2-carbaldehyde

1-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]piperidine-2-carbaldehyde (PubChem CID 104566931) has the molecular formula C16H31NO4 and a molecular weight of 301.43 g/mol. Its IUPAC name is 1-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]piperidine-2-carbaldehyde.

Molecular Properties

Compound Name1-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]piperidine-2-carbaldehyde
PubChem CID104566931
Molecular FormulaC16H31NO4
Molecular Weight301.43 g/mol
Exact Mass301.23
IUPAC Name1-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]piperidine-2-carbaldehyde
SMILESCCCCOCCOCCOCCN1CCCCC1C=O
InChIInChI=1S/C16H31NO4/c1-2-3-9-19-11-13-21-14-12-20-10-8-17-7-5-4-6-16(17)15-18/h15-16H,2-14H2,1H3
InChIKeySCVWYPSUKFBEER-UHFFFAOYSA-N
XLogP1.89
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.43
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]piperidine-2-carbaldehyde 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

1-hexylpiperidine-2-carbaldehyde
CID 62655866
1-heptylpiperidine-2-carbaldehyde
CID 62655864
1-(3-butoxy-2-hydroxypropyl)piperidine-2-carbaldehyde
CID 107264385
1-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-2-(chloromethyl)pyrrolidine
CID 104567118
1-[3-[2-oxoethyl(propyl)amino]propyl]piperidine-2-carbaldehyde
CID 155394978
[(2R)-1-(2-butoxyethyl)pyrrolidin-2-yl]methanol
CID 62735847
2-[1-(2-propoxyethyl)piperidin-2-yl]acetic acid
CID 106454638
1-[2-(dimethylamino)ethyl]pyrrolidine-2-carbaldehyde
CID 102567892
1-[2-(2-methylphenoxy)ethyl]piperidine-2-carbaldehyde
CID 62654078
1-(3-methylbut-3-enyl)piperidine-2-carbaldehyde
CID 114476661
1-(3-phenoxypropyl)piperidine-2-carbaldehyde
CID 62655361
2-ethenyl-1-propylpiperidine
CID 13181247

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]piperidine-2-carbaldehyde?
The IUPAC name of 1-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]piperidine-2-carbaldehyde (CID 104566931) is 1-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]piperidine-2-carbaldehyde.
What is the SMILES notation for 1-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]piperidine-2-carbaldehyde?
The canonical SMILES for 1-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]piperidine-2-carbaldehyde is CCCCOCCOCCOCCN1CCCCC1C=O.
What is the InChIKey of 1-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]piperidine-2-carbaldehyde?
The InChIKey is SCVWYPSUKFBEER-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO4/c1-2-3-9-19-11-13-21-14-12-20-10-8-17-7-5-4-6-16(17)15-18/h15-16H,2-14H2,1H3.
What are the key properties of 1-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]piperidine-2-carbaldehyde?
1-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]piperidine-2-carbaldehyde has a molecular weight of 301.43 g/mol, XLogP of 1.89, 13 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]piperidine-2-carbaldehyde is sourced from PubChem (CID 104566931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).