4-[(2S)-1-(2-methoxyethyl)pyrrolidin-2-yl]-1-methylpiperidine

C13H26N2O — CID 118303182

IUPAC4-[(2S)-1-(2-methoxyethyl)pyrrolidin-2-yl]-1-methylpiperidine
SMILESCOCCN1CCC[C@H]1C1CCN(C)CC1
InChIInChI=1S/C13H26N2O/c1-14-8-5-12(6-9-14)13-4-3-7-15(13)10-11-16-2/h12-13H,3-11H2,1-2H3/t13-/m0/s1
InChIKeyADXFLQKOWBGRHV-ZDUSSCGKSA-N
MW226.36 g/mol
LogP1.44
Rot. Bonds4

About 4-[(2S)-1-(2-methoxyethyl)pyrrolidin-2-yl]-1-methylpiperidine

4-[(2S)-1-(2-methoxyethyl)pyrrolidin-2-yl]-1-methylpiperidine (PubChem CID 118303182) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is 4-[(2S)-1-(2-methoxyethyl)pyrrolidin-2-yl]-1-methylpiperidine.

Molecular Properties

Compound Name4-[(2S)-1-(2-methoxyethyl)pyrrolidin-2-yl]-1-methylpiperidine
PubChem CID118303182
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name4-[(2S)-1-(2-methoxyethyl)pyrrolidin-2-yl]-1-methylpiperidine
SMILESCOCCN1CCC[C@H]1C1CCN(C)CC1
InChIInChI=1S/C13H26N2O/c1-14-8-5-12(6-9-14)13-4-3-7-15(13)10-11-16-2/h12-13H,3-11H2,1-2H3/t13-/m0/s1
InChIKeyADXFLQKOWBGRHV-ZDUSSCGKSA-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-[(2S)-1-(2-methoxyethyl)pyrrolidin-2-yl]-1-methylpiperidine?
The IUPAC name of 4-[(2S)-1-(2-methoxyethyl)pyrrolidin-2-yl]-1-methylpiperidine (CID 118303182) is 4-[(2S)-1-(2-methoxyethyl)pyrrolidin-2-yl]-1-methylpiperidine.
What is the SMILES notation for 4-[(2S)-1-(2-methoxyethyl)pyrrolidin-2-yl]-1-methylpiperidine?
The canonical SMILES for 4-[(2S)-1-(2-methoxyethyl)pyrrolidin-2-yl]-1-methylpiperidine is COCCN1CCC[C@H]1C1CCN(C)CC1.
What is the InChIKey of 4-[(2S)-1-(2-methoxyethyl)pyrrolidin-2-yl]-1-methylpiperidine?
The InChIKey is ADXFLQKOWBGRHV-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H26N2O/c1-14-8-5-12(6-9-14)13-4-3-7-15(13)10-11-16-2/h12-13H,3-11H2,1-2H3/t13-/m0/s1.
What are the key properties of 4-[(2S)-1-(2-methoxyethyl)pyrrolidin-2-yl]-1-methylpiperidine?
4-[(2S)-1-(2-methoxyethyl)pyrrolidin-2-yl]-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-[(2S)-1-(2-methoxyethyl)pyrrolidin-2-yl]-1-methylpiperidine is sourced from PubChem (CID 118303182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).