1-[2-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]piperidine-4-carbaldehyde

C17H34N2O5 — CID 167464269

IUPAC1-[2-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]piperidine-4-carbaldehyde
SMILESCNCCOCCOCCOCCOCCN1CCC(C=O)CC1
InChIInChI=1S/C17H34N2O5/c1-18-4-8-21-10-12-23-14-15-24-13-11-22-9-7-19-5-2-17(16-20)3-6-19/h16-18H,2-15H2,1H3
InChIKeyMSJKRCQRGMPEGN-UHFFFAOYSA-N
MW346.47 g/mol
LogP0.18
Rot. Bonds16

About 1-[2-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]piperidine-4-carbaldehyde

1-[2-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]piperidine-4-carbaldehyde (PubChem CID 167464269) has the molecular formula C17H34N2O5 and a molecular weight of 346.47 g/mol. Its IUPAC name is 1-[2-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]piperidine-4-carbaldehyde.

Molecular Properties

Compound Name1-[2-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]piperidine-4-carbaldehyde
PubChem CID167464269
Molecular FormulaC17H34N2O5
Molecular Weight346.47 g/mol
Exact Mass346.25
IUPAC Name1-[2-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]piperidine-4-carbaldehyde
SMILESCNCCOCCOCCOCCOCCN1CCC(C=O)CC1
InChIInChI=1S/C17H34N2O5/c1-18-4-8-21-10-12-23-14-15-24-13-11-22-9-7-19-5-2-17(16-20)3-6-19/h16-18H,2-15H2,1H3
InChIKeyMSJKRCQRGMPEGN-UHFFFAOYSA-N
XLogP0.18
TPSA69.26 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds16
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.47
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(methylamino)ethyl]piperidine-4-carbaldehyde
CID 166488609
1-(2-ethoxyethyl)piperidine-4-carbaldehyde
CID 62654830
N-methyl-2-[2-(2-pyrrolidin-1-ylethoxy)ethoxy]ethanamine
CID 58701501
2-[4-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethyl]piperazin-1-yl]ethanol
CID 142367989
2-(4-formylpiperidin-1-yl)ethyl formate
CID 174570080
N-methyl-3-(2-piperidin-1-ylethoxy)propan-1-amine
CID 62459312
1-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-N-methylpiperidin-4-amine
CID 104560353
1-decylpiperidine-4-carbaldehyde
CID 62654458
1-methylpiperidine-4-carbaldehyde;N-methyl-3-propan-2-yloxypropan-1-amine
CID 143843368
1-[2-[3-(2-ethoxyethoxy)propoxy]ethyl]piperidine;N-methylformamide
CID 171081654
2-(2-pyrrolidin-1-ylethoxy)-N-[2-[2-(2-pyrrolidin-1-ylethoxy)ethoxy]ethyl]ethanamine
CID 118891597
N-methyl-2-[2-[2-[2-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanamine
CID 146243407

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]piperidine-4-carbaldehyde?
The IUPAC name of 1-[2-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]piperidine-4-carbaldehyde (CID 167464269) is 1-[2-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]piperidine-4-carbaldehyde.
What is the SMILES notation for 1-[2-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]piperidine-4-carbaldehyde?
The canonical SMILES for 1-[2-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]piperidine-4-carbaldehyde is CNCCOCCOCCOCCOCCN1CCC(C=O)CC1.
What is the InChIKey of 1-[2-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]piperidine-4-carbaldehyde?
The InChIKey is MSJKRCQRGMPEGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2O5/c1-18-4-8-21-10-12-23-14-15-24-13-11-22-9-7-19-5-2-17(16-20)3-6-19/h16-18H,2-15H2,1H3.
What are the key properties of 1-[2-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]piperidine-4-carbaldehyde?
1-[2-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]piperidine-4-carbaldehyde has a molecular weight of 346.47 g/mol, XLogP of 0.18, 16 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]piperidine-4-carbaldehyde is sourced from PubChem (CID 167464269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).