4-[(2R)-4,4-difluoro-2-(methoxymethyl)pyrrolidin-1-yl]-1-methylpiperidine

C12H22F2N2O — CID 118303310

IUPAC4-[(2R)-4,4-difluoro-2-(methoxymethyl)pyrrolidin-1-yl]-1-methylpiperidine
SMILESCOC[C@H]1CC(F)(F)CN1C1CCN(C)CC1
InChIInChI=1S/C12H22F2N2O/c1-15-5-3-10(4-6-15)16-9-12(13,14)7-11(16)8-17-2/h10-11H,3-9H2,1-2H3/t11-/m1/s1
InChIKeyMZHKYRMOJONXLG-LLVKDONJSA-N
MW248.32 g/mol
LogP1.44
Rot. Bonds3

About 4-[(2R)-4,4-difluoro-2-(methoxymethyl)pyrrolidin-1-yl]-1-methylpiperidine

4-[(2R)-4,4-difluoro-2-(methoxymethyl)pyrrolidin-1-yl]-1-methylpiperidine (PubChem CID 118303310) has the molecular formula C12H22F2N2O and a molecular weight of 248.32 g/mol. Its IUPAC name is 4-[(2R)-4,4-difluoro-2-(methoxymethyl)pyrrolidin-1-yl]-1-methylpiperidine.

Molecular Properties

Compound Name4-[(2R)-4,4-difluoro-2-(methoxymethyl)pyrrolidin-1-yl]-1-methylpiperidine
PubChem CID118303310
Molecular FormulaC12H22F2N2O
Molecular Weight248.32 g/mol
Exact Mass248.17
IUPAC Name4-[(2R)-4,4-difluoro-2-(methoxymethyl)pyrrolidin-1-yl]-1-methylpiperidine
SMILESCOC[C@H]1CC(F)(F)CN1C1CCN(C)CC1
InChIInChI=1S/C12H22F2N2O/c1-15-5-3-10(4-6-15)16-9-12(13,14)7-11(16)8-17-2/h10-11H,3-9H2,1-2H3/t11-/m1/s1
InChIKeyMZHKYRMOJONXLG-LLVKDONJSA-N
XLogP1.44
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.32
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-[(2R)-4,4-difluoro-2-(methoxymethyl)pyrrolidin-1-yl]-1-methylpiperidine?
The IUPAC name of 4-[(2R)-4,4-difluoro-2-(methoxymethyl)pyrrolidin-1-yl]-1-methylpiperidine (CID 118303310) is 4-[(2R)-4,4-difluoro-2-(methoxymethyl)pyrrolidin-1-yl]-1-methylpiperidine.
What is the SMILES notation for 4-[(2R)-4,4-difluoro-2-(methoxymethyl)pyrrolidin-1-yl]-1-methylpiperidine?
The canonical SMILES for 4-[(2R)-4,4-difluoro-2-(methoxymethyl)pyrrolidin-1-yl]-1-methylpiperidine is COC[C@H]1CC(F)(F)CN1C1CCN(C)CC1.
What is the InChIKey of 4-[(2R)-4,4-difluoro-2-(methoxymethyl)pyrrolidin-1-yl]-1-methylpiperidine?
The InChIKey is MZHKYRMOJONXLG-LLVKDONJSA-N. The full InChI is InChI=1S/C12H22F2N2O/c1-15-5-3-10(4-6-15)16-9-12(13,14)7-11(16)8-17-2/h10-11H,3-9H2,1-2H3/t11-/m1/s1.
What are the key properties of 4-[(2R)-4,4-difluoro-2-(methoxymethyl)pyrrolidin-1-yl]-1-methylpiperidine?
4-[(2R)-4,4-difluoro-2-(methoxymethyl)pyrrolidin-1-yl]-1-methylpiperidine has a molecular weight of 248.32 g/mol, XLogP of 1.44, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2R)-4,4-difluoro-2-(methoxymethyl)pyrrolidin-1-yl]-1-methylpiperidine is sourced from PubChem (CID 118303310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).