ethane;1-[2-(4-methoxybutoxy)ethyl]piperidine

C14H31NO2 — CID 142390245

IUPACethane;1-[2-(4-methoxybutoxy)ethyl]piperidine
SMILESCC.COCCCCOCCN1CCCCC1
InChIInChI=1S/C12H25NO2.C2H6/c1-14-10-5-6-11-15-12-9-13-7-3-2-4-8-13;1-2/h2-12H2,1H3;1-2H3
InChIKeyMUSVYINAZVJDEJ-UHFFFAOYSA-N
MW245.41 g/mol
LogP2.94
Rot. Bonds8

About ethane;1-[2-(4-methoxybutoxy)ethyl]piperidine

ethane;1-[2-(4-methoxybutoxy)ethyl]piperidine (PubChem CID 142390245) has the molecular formula C14H31NO2 and a molecular weight of 245.41 g/mol. Its IUPAC name is ethane;1-[2-(4-methoxybutoxy)ethyl]piperidine.

Molecular Properties

Compound Nameethane;1-[2-(4-methoxybutoxy)ethyl]piperidine
PubChem CID142390245
Molecular FormulaC14H31NO2
Molecular Weight245.41 g/mol
Exact Mass245.24
IUPAC Nameethane;1-[2-(4-methoxybutoxy)ethyl]piperidine
SMILESCC.COCCCCOCCN1CCCCC1
InChIInChI=1S/C12H25NO2.C2H6/c1-14-10-5-6-11-15-12-9-13-7-3-2-4-8-13;1-2/h2-12H2,1H3;1-2H3
InChIKeyMUSVYINAZVJDEJ-UHFFFAOYSA-N
XLogP2.94
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.41
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze ethane;1-[2-(4-methoxybutoxy)ethyl]piperidine 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-[2-(3-methoxypropoxy)ethyl]piperidine
CID 134364578
ethane;1-(8-methoxyoctyl)piperidine
CID 142390794
ethane;1-(2-methoxyethyl)pyrrolidine;1-(3-methoxypropyl)pyrrolidine
CID 143723108
1-(2-methoxyethyl)azocane
CID 47014834
1-[2-(2-decoxyethoxy)ethyl]piperidine
CID 175686195
1-(2-chloroethyl)-4-[2-(3-methoxypropoxy)ethyl]-1,4-diazepane
CID 103183952
1-[2-(3-methoxypropoxy)ethyl]piperidin-4-one
CID 103179796
3-[4-[2-(3-methoxypropoxy)ethyl]piperazin-1-yl]propan-1-amine
CID 103178059
N-methyl-3-(2-piperidin-1-ylethoxy)propan-1-amine
CID 62459312
N-[2-(3-methoxypropoxy)ethyl]-2-pyrrolidin-1-ylethanamine
CID 103178950
5-(2-pyrrolidin-1-ylethoxy)pentan-1-amine
CID 62458957
1-[2-(3-methoxypropoxy)ethyl]piperidin-4-amine
CID 103177226

Frequently Asked Questions

What is the IUPAC name of ethane;1-[2-(4-methoxybutoxy)ethyl]piperidine?
The IUPAC name of ethane;1-[2-(4-methoxybutoxy)ethyl]piperidine (CID 142390245) is ethane;1-[2-(4-methoxybutoxy)ethyl]piperidine.
What is the SMILES notation for ethane;1-[2-(4-methoxybutoxy)ethyl]piperidine?
The canonical SMILES for ethane;1-[2-(4-methoxybutoxy)ethyl]piperidine is CC.COCCCCOCCN1CCCCC1.
What is the InChIKey of ethane;1-[2-(4-methoxybutoxy)ethyl]piperidine?
The InChIKey is MUSVYINAZVJDEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2.C2H6/c1-14-10-5-6-11-15-12-9-13-7-3-2-4-8-13;1-2/h2-12H2,1H3;1-2H3.
What are the key properties of ethane;1-[2-(4-methoxybutoxy)ethyl]piperidine?
ethane;1-[2-(4-methoxybutoxy)ethyl]piperidine has a molecular weight of 245.41 g/mol, XLogP of 2.94, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-[2-(4-methoxybutoxy)ethyl]piperidine is sourced from PubChem (CID 142390245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).