2-[3-fluoro-3-(methoxymethyl)pyrrolidin-1-yl]-1-piperidin-1-ylethanone

C13H23FN2O2 — CID 171993161

IUPAC2-[3-fluoro-3-(methoxymethyl)pyrrolidin-1-yl]-1-piperidin-1-ylethanone
SMILESCOCC1(F)CCN(CC(=O)N2CCCCC2)C1
InChIInChI=1S/C13H23FN2O2/c1-18-11-13(14)5-8-15(10-13)9-12(17)16-6-3-2-4-7-16/h2-11H2,1H3
InChIKeyZACHQIDLQQPCRT-UHFFFAOYSA-N
MW258.34 g/mol
LogP1.06
Rot. Bonds4

About 2-[3-fluoro-3-(methoxymethyl)pyrrolidin-1-yl]-1-piperidin-1-ylethanone

2-[3-fluoro-3-(methoxymethyl)pyrrolidin-1-yl]-1-piperidin-1-ylethanone (PubChem CID 171993161) has the molecular formula C13H23FN2O2 and a molecular weight of 258.34 g/mol. Its IUPAC name is 2-[3-fluoro-3-(methoxymethyl)pyrrolidin-1-yl]-1-piperidin-1-ylethanone.

Molecular Properties

Compound Name2-[3-fluoro-3-(methoxymethyl)pyrrolidin-1-yl]-1-piperidin-1-ylethanone
PubChem CID171993161
Molecular FormulaC13H23FN2O2
Molecular Weight258.34 g/mol
Exact Mass258.17
IUPAC Name2-[3-fluoro-3-(methoxymethyl)pyrrolidin-1-yl]-1-piperidin-1-ylethanone
SMILESCOCC1(F)CCN(CC(=O)N2CCCCC2)C1
InChIInChI=1S/C13H23FN2O2/c1-18-11-13(14)5-8-15(10-13)9-12(17)16-6-3-2-4-7-16/h2-11H2,1H3
InChIKeyZACHQIDLQQPCRT-UHFFFAOYSA-N
XLogP1.06
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.34
LogP ≤ 51.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[3-fluoro-3-(methoxymethyl)pyrrolidin-1-yl]-1-piperidin-1-ylethanone?
The IUPAC name of 2-[3-fluoro-3-(methoxymethyl)pyrrolidin-1-yl]-1-piperidin-1-ylethanone (CID 171993161) is 2-[3-fluoro-3-(methoxymethyl)pyrrolidin-1-yl]-1-piperidin-1-ylethanone.
What is the SMILES notation for 2-[3-fluoro-3-(methoxymethyl)pyrrolidin-1-yl]-1-piperidin-1-ylethanone?
The canonical SMILES for 2-[3-fluoro-3-(methoxymethyl)pyrrolidin-1-yl]-1-piperidin-1-ylethanone is COCC1(F)CCN(CC(=O)N2CCCCC2)C1.
What is the InChIKey of 2-[3-fluoro-3-(methoxymethyl)pyrrolidin-1-yl]-1-piperidin-1-ylethanone?
The InChIKey is ZACHQIDLQQPCRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23FN2O2/c1-18-11-13(14)5-8-15(10-13)9-12(17)16-6-3-2-4-7-16/h2-11H2,1H3.
What are the key properties of 2-[3-fluoro-3-(methoxymethyl)pyrrolidin-1-yl]-1-piperidin-1-ylethanone?
2-[3-fluoro-3-(methoxymethyl)pyrrolidin-1-yl]-1-piperidin-1-ylethanone has a molecular weight of 258.34 g/mol, XLogP of 1.06, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-fluoro-3-(methoxymethyl)pyrrolidin-1-yl]-1-piperidin-1-ylethanone is sourced from PubChem (CID 171993161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).