4-[(3-ethoxypyrrolidin-1-yl)methyl]-1-methylpiperidine

C13H26N2O — CID 135173871

IUPAC4-[(3-ethoxypyrrolidin-1-yl)methyl]-1-methylpiperidine
SMILESCCOC1CCN(CC2CCN(C)CC2)C1
InChIInChI=1S/C13H26N2O/c1-3-16-13-6-9-15(11-13)10-12-4-7-14(2)8-5-12/h12-13H,3-11H2,1-2H3
InChIKeyIBUFRBOIBFDRIQ-UHFFFAOYSA-N
MW226.36 g/mol
LogP1.44
Rot. Bonds4

About 4-[(3-ethoxypyrrolidin-1-yl)methyl]-1-methylpiperidine

4-[(3-ethoxypyrrolidin-1-yl)methyl]-1-methylpiperidine (PubChem CID 135173871) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is 4-[(3-ethoxypyrrolidin-1-yl)methyl]-1-methylpiperidine.

Molecular Properties

Compound Name4-[(3-ethoxypyrrolidin-1-yl)methyl]-1-methylpiperidine
PubChem CID135173871
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name4-[(3-ethoxypyrrolidin-1-yl)methyl]-1-methylpiperidine
SMILESCCOC1CCN(CC2CCN(C)CC2)C1
InChIInChI=1S/C13H26N2O/c1-3-16-13-6-9-15(11-13)10-12-4-7-14(2)8-5-12/h12-13H,3-11H2,1-2H3
InChIKeyIBUFRBOIBFDRIQ-UHFFFAOYSA-N
XLogP1.44
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(3-ethoxypyrrolidin-1-yl)methyl]-1-methylpiperidine?
The IUPAC name of 4-[(3-ethoxypyrrolidin-1-yl)methyl]-1-methylpiperidine (CID 135173871) is 4-[(3-ethoxypyrrolidin-1-yl)methyl]-1-methylpiperidine.
What is the SMILES notation for 4-[(3-ethoxypyrrolidin-1-yl)methyl]-1-methylpiperidine?
The canonical SMILES for 4-[(3-ethoxypyrrolidin-1-yl)methyl]-1-methylpiperidine is CCOC1CCN(CC2CCN(C)CC2)C1.
What is the InChIKey of 4-[(3-ethoxypyrrolidin-1-yl)methyl]-1-methylpiperidine?
The InChIKey is IBUFRBOIBFDRIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-3-16-13-6-9-15(11-13)10-12-4-7-14(2)8-5-12/h12-13H,3-11H2,1-2H3.
What are the key properties of 4-[(3-ethoxypyrrolidin-1-yl)methyl]-1-methylpiperidine?
4-[(3-ethoxypyrrolidin-1-yl)methyl]-1-methylpiperidine has a molecular weight of 226.36 g/mol, XLogP of 1.44, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-ethoxypyrrolidin-1-yl)methyl]-1-methylpiperidine is sourced from PubChem (CID 135173871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).