1-[2-[3-(2-ethoxyethoxy)propoxy]ethyl]piperidine;N-methylformamide

C16H34N2O4 — CID 171081654

IUPAC1-[2-[3-(2-ethoxyethoxy)propoxy]ethyl]piperidine;N-methylformamide
SMILESCCOCCOCCCOCCN1CCCCC1.CNC=O
InChIInChI=1S/C14H29NO3.C2H5NO/c1-2-16-13-14-18-11-6-10-17-12-9-15-7-4-3-5-8-15;1-3-2-4/h2-14H2,1H3;2H,1H3,(H,3,4)
InChIKeyJFBJZYLNQDLRPA-UHFFFAOYSA-N
MW318.46 g/mol
LogP1.29
Rot. Bonds12

About 1-[2-[3-(2-ethoxyethoxy)propoxy]ethyl]piperidine;N-methylformamide

1-[2-[3-(2-ethoxyethoxy)propoxy]ethyl]piperidine;N-methylformamide (PubChem CID 171081654) has the molecular formula C16H34N2O4 and a molecular weight of 318.46 g/mol. Its IUPAC name is 1-[2-[3-(2-ethoxyethoxy)propoxy]ethyl]piperidine;N-methylformamide.

Molecular Properties

Compound Name1-[2-[3-(2-ethoxyethoxy)propoxy]ethyl]piperidine;N-methylformamide
PubChem CID171081654
Molecular FormulaC16H34N2O4
Molecular Weight318.46 g/mol
Exact Mass318.25
IUPAC Name1-[2-[3-(2-ethoxyethoxy)propoxy]ethyl]piperidine;N-methylformamide
SMILESCCOCCOCCCOCCN1CCCCC1.CNC=O
InChIInChI=1S/C14H29NO3.C2H5NO/c1-2-16-13-14-18-11-6-10-17-12-9-15-7-4-3-5-8-15;1-3-2-4/h2-14H2,1H3;2H,1H3,(H,3,4)
InChIKeyJFBJZYLNQDLRPA-UHFFFAOYSA-N
XLogP1.29
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.46
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

ethane;1-(5-ethoxypentyl)piperidine;N-methylformamide
CID 142367464
1-[3-(2-ethoxyethoxy)propyl]pyrrolidine
CID 58400633
1-(2-ethoxyethyl)piperidine
CID 22622871
1-[2-(2-decoxyethoxy)ethyl]piperidine
CID 175686195
N-methyl-3-(2-piperidin-1-ylethoxy)propan-1-amine
CID 62459312
ethane;N-methyl-5-[3-(2-piperidin-1-ylethoxy)propoxy]pentanamide
CID 142391107
ethane;1-(3-ethoxypropyl)pyrrolidine;methane;propane
CID 156885032
1-[2-(3-methoxypropoxy)ethyl]piperidine
CID 134364578
1-(2-ethoxyethyl)piperidine-4-carbaldehyde
CID 62654830
1,4,8,11-tetrakis(2-ethoxyethyl)-1,4,8,11-tetrazacyclotetradecane
CID 10529041
N-(2-ethoxyethyl)-2-piperidin-1-ylethanamine
CID 60697193
N-methyl-2-[2-(2-pyrrolidin-1-ylethoxy)ethoxy]ethanamine
CID 58701501

Frequently Asked Questions

What is the IUPAC name of 1-[2-[3-(2-ethoxyethoxy)propoxy]ethyl]piperidine;N-methylformamide?
The IUPAC name of 1-[2-[3-(2-ethoxyethoxy)propoxy]ethyl]piperidine;N-methylformamide (CID 171081654) is 1-[2-[3-(2-ethoxyethoxy)propoxy]ethyl]piperidine;N-methylformamide.
What is the SMILES notation for 1-[2-[3-(2-ethoxyethoxy)propoxy]ethyl]piperidine;N-methylformamide?
The canonical SMILES for 1-[2-[3-(2-ethoxyethoxy)propoxy]ethyl]piperidine;N-methylformamide is CCOCCOCCCOCCN1CCCCC1.CNC=O.
What is the InChIKey of 1-[2-[3-(2-ethoxyethoxy)propoxy]ethyl]piperidine;N-methylformamide?
The InChIKey is JFBJZYLNQDLRPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO3.C2H5NO/c1-2-16-13-14-18-11-6-10-17-12-9-15-7-4-3-5-8-15;1-3-2-4/h2-14H2,1H3;2H,1H3,(H,3,4).
What are the key properties of 1-[2-[3-(2-ethoxyethoxy)propoxy]ethyl]piperidine;N-methylformamide?
1-[2-[3-(2-ethoxyethoxy)propoxy]ethyl]piperidine;N-methylformamide has a molecular weight of 318.46 g/mol, XLogP of 1.29, 12 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[3-(2-ethoxyethoxy)propoxy]ethyl]piperidine;N-methylformamide is sourced from PubChem (CID 171081654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).