ethane;1-(8-methoxyoctyl)piperidine

C16H35NO — CID 142390794

IUPACethane;1-(8-methoxyoctyl)piperidine
SMILESCC.COCCCCCCCCN1CCCCC1
InChIInChI=1S/C14H29NO.C2H6/c1-16-14-10-5-3-2-4-7-11-15-12-8-6-9-13-15;1-2/h2-14H2,1H3;1-2H3
InChIKeyBUQBPPGSOQIXIQ-UHFFFAOYSA-N
MW257.46 g/mol
LogP4.49
Rot. Bonds9

About ethane;1-(8-methoxyoctyl)piperidine

ethane;1-(8-methoxyoctyl)piperidine (PubChem CID 142390794) has the molecular formula C16H35NO and a molecular weight of 257.46 g/mol. Its IUPAC name is ethane;1-(8-methoxyoctyl)piperidine.

Molecular Properties

Compound Nameethane;1-(8-methoxyoctyl)piperidine
PubChem CID142390794
Molecular FormulaC16H35NO
Molecular Weight257.46 g/mol
Exact Mass257.27
IUPAC Nameethane;1-(8-methoxyoctyl)piperidine
SMILESCC.COCCCCCCCCN1CCCCC1
InChIInChI=1S/C14H29NO.C2H6/c1-16-14-10-5-3-2-4-7-11-15-12-8-6-9-13-15;1-2/h2-14H2,1H3;1-2H3
InChIKeyBUQBPPGSOQIXIQ-UHFFFAOYSA-N
XLogP4.49
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.46
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethane;1-[2-(4-methoxybutoxy)ethyl]piperidine
CID 142390245
ethane;1-(2-methoxyethyl)pyrrolidine;1-(3-methoxypropyl)pyrrolidine
CID 143723108
1-[2-(3-methoxypropoxy)ethyl]piperidine
CID 134364578
1-(2-methoxyethyl)azocane
CID 47014834
1-(2-bromoethyl)-4-(4-methoxybutyl)piperazine
CID 104649772
2-methoxyacetic acid;1-(3-methoxypropyl)piperidine
CID 174749833
ethane;4-(4-methoxybutyl)thiomorpholine
CID 143134021
4-(azepan-1-yl)-N-(2-methoxyethyl)butan-1-amine
CID 62568410
ethane;1-(5-methoxypentyl)piperazine;propane
CID 156802443
N-(3-methoxypropyl)-N-methyl-3-piperidin-1-ylpropan-1-amine
CID 135181988
1-(6-piperidin-1-ylhexyl)piperidine bromide
CID 53351438
ethane;1-nonylpiperidine
CID 177011009

Frequently Asked Questions

What is the IUPAC name of ethane;1-(8-methoxyoctyl)piperidine?
The IUPAC name of ethane;1-(8-methoxyoctyl)piperidine (CID 142390794) is ethane;1-(8-methoxyoctyl)piperidine.
What is the SMILES notation for ethane;1-(8-methoxyoctyl)piperidine?
The canonical SMILES for ethane;1-(8-methoxyoctyl)piperidine is CC.COCCCCCCCCN1CCCCC1.
What is the InChIKey of ethane;1-(8-methoxyoctyl)piperidine?
The InChIKey is BUQBPPGSOQIXIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO.C2H6/c1-16-14-10-5-3-2-4-7-11-15-12-8-6-9-13-15;1-2/h2-14H2,1H3;1-2H3.
What are the key properties of ethane;1-(8-methoxyoctyl)piperidine?
ethane;1-(8-methoxyoctyl)piperidine has a molecular weight of 257.46 g/mol, XLogP of 4.49, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-(8-methoxyoctyl)piperidine is sourced from PubChem (CID 142390794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).