1-(2-methoxyethyl)-4-(3-methylbutyl)piperidine

C13H27NO — CID 20811839

IUPAC1-(2-methoxyethyl)-4-(3-methylbutyl)piperidine
SMILESCOCCN1CCC(CCC(C)C)CC1
InChIInChI=1S/C13H27NO/c1-12(2)4-5-13-6-8-14(9-7-13)10-11-15-3/h12-13H,4-11H2,1-3H3
InChIKeyGGOPMRDKPNJHLT-UHFFFAOYSA-N
MW213.36 g/mol
LogP2.78
Rot. Bonds6

About 1-(2-methoxyethyl)-4-(3-methylbutyl)piperidine

1-(2-methoxyethyl)-4-(3-methylbutyl)piperidine (PubChem CID 20811839) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-4-(3-methylbutyl)piperidine.

Molecular Properties

Compound Name1-(2-methoxyethyl)-4-(3-methylbutyl)piperidine
PubChem CID20811839
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC Name1-(2-methoxyethyl)-4-(3-methylbutyl)piperidine
SMILESCOCCN1CCC(CCC(C)C)CC1
InChIInChI=1S/C13H27NO/c1-12(2)4-5-13-6-8-14(9-7-13)10-11-15-3/h12-13H,4-11H2,1-3H3
InChIKeyGGOPMRDKPNJHLT-UHFFFAOYSA-N
XLogP2.78
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.36
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-4-(3-methylbutyl)piperidine?
The IUPAC name of 1-(2-methoxyethyl)-4-(3-methylbutyl)piperidine (CID 20811839) is 1-(2-methoxyethyl)-4-(3-methylbutyl)piperidine.
What is the SMILES notation for 1-(2-methoxyethyl)-4-(3-methylbutyl)piperidine?
The canonical SMILES for 1-(2-methoxyethyl)-4-(3-methylbutyl)piperidine is COCCN1CCC(CCC(C)C)CC1.
What is the InChIKey of 1-(2-methoxyethyl)-4-(3-methylbutyl)piperidine?
The InChIKey is GGOPMRDKPNJHLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-12(2)4-5-13-6-8-14(9-7-13)10-11-15-3/h12-13H,4-11H2,1-3H3.
What are the key properties of 1-(2-methoxyethyl)-4-(3-methylbutyl)piperidine?
1-(2-methoxyethyl)-4-(3-methylbutyl)piperidine has a molecular weight of 213.36 g/mol, XLogP of 2.78, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-4-(3-methylbutyl)piperidine is sourced from PubChem (CID 20811839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).