3-butyl-1-(2-methoxyethyl)piperidine

C12H25NO — CID 89119976

IUPAC3-butyl-1-(2-methoxyethyl)piperidine
SMILESCCCCC1CCCN(CCOC)C1
InChIInChI=1S/C12H25NO/c1-3-4-6-12-7-5-8-13(11-12)9-10-14-2/h12H,3-11H2,1-2H3
InChIKeyITHTUNUMDQJLDL-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.54
Rot. Bonds6

About 3-butyl-1-(2-methoxyethyl)piperidine

3-butyl-1-(2-methoxyethyl)piperidine (PubChem CID 89119976) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is 3-butyl-1-(2-methoxyethyl)piperidine.

Molecular Properties

Compound Name3-butyl-1-(2-methoxyethyl)piperidine
PubChem CID89119976
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Name3-butyl-1-(2-methoxyethyl)piperidine
SMILESCCCCC1CCCN(CCOC)C1
InChIInChI=1S/C12H25NO/c1-3-4-6-12-7-5-8-13(11-12)9-10-14-2/h12H,3-11H2,1-2H3
InChIKeyITHTUNUMDQJLDL-UHFFFAOYSA-N
XLogP2.54
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-butyl-1-(2-methoxyethyl)piperidine?
The IUPAC name of 3-butyl-1-(2-methoxyethyl)piperidine (CID 89119976) is 3-butyl-1-(2-methoxyethyl)piperidine.
What is the SMILES notation for 3-butyl-1-(2-methoxyethyl)piperidine?
The canonical SMILES for 3-butyl-1-(2-methoxyethyl)piperidine is CCCCC1CCCN(CCOC)C1.
What is the InChIKey of 3-butyl-1-(2-methoxyethyl)piperidine?
The InChIKey is ITHTUNUMDQJLDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO/c1-3-4-6-12-7-5-8-13(11-12)9-10-14-2/h12H,3-11H2,1-2H3.
What are the key properties of 3-butyl-1-(2-methoxyethyl)piperidine?
3-butyl-1-(2-methoxyethyl)piperidine has a molecular weight of 199.34 g/mol, XLogP of 2.54, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-1-(2-methoxyethyl)piperidine is sourced from PubChem (CID 89119976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).