4-fluoro-1-(1,2,2-trimethylpyrrolidin-3-yl)piperidine

C12H23FN2 — CID 166870170

IUPAC4-fluoro-1-(1,2,2-trimethylpyrrolidin-3-yl)piperidine
SMILESCN1CCC(N2CCC(F)CC2)C1(C)C
InChIInChI=1S/C12H23FN2/c1-12(2)11(6-7-14(12)3)15-8-4-10(13)5-9-15/h10-11H,4-9H2,1-3H3
InChIKeyVKAYQHJTMWFXAR-UHFFFAOYSA-N
MW214.33 g/mol
LogP1.90
Rot. Bonds1

About 4-fluoro-1-(1,2,2-trimethylpyrrolidin-3-yl)piperidine

4-fluoro-1-(1,2,2-trimethylpyrrolidin-3-yl)piperidine (PubChem CID 166870170) has the molecular formula C12H23FN2 and a molecular weight of 214.33 g/mol. Its IUPAC name is 4-fluoro-1-(1,2,2-trimethylpyrrolidin-3-yl)piperidine.

Molecular Properties

Compound Name4-fluoro-1-(1,2,2-trimethylpyrrolidin-3-yl)piperidine
PubChem CID166870170
Molecular FormulaC12H23FN2
Molecular Weight214.33 g/mol
Exact Mass214.18
IUPAC Name4-fluoro-1-(1,2,2-trimethylpyrrolidin-3-yl)piperidine
SMILESCN1CCC(N2CCC(F)CC2)C1(C)C
InChIInChI=1S/C12H23FN2/c1-12(2)11(6-7-14(12)3)15-8-4-10(13)5-9-15/h10-11H,4-9H2,1-3H3
InChIKeyVKAYQHJTMWFXAR-UHFFFAOYSA-N
XLogP1.90
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.33
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-1-(1,2,2-trimethylpyrrolidin-3-yl)piperidine?
The IUPAC name of 4-fluoro-1-(1,2,2-trimethylpyrrolidin-3-yl)piperidine (CID 166870170) is 4-fluoro-1-(1,2,2-trimethylpyrrolidin-3-yl)piperidine.
What is the SMILES notation for 4-fluoro-1-(1,2,2-trimethylpyrrolidin-3-yl)piperidine?
The canonical SMILES for 4-fluoro-1-(1,2,2-trimethylpyrrolidin-3-yl)piperidine is CN1CCC(N2CCC(F)CC2)C1(C)C.
What is the InChIKey of 4-fluoro-1-(1,2,2-trimethylpyrrolidin-3-yl)piperidine?
The InChIKey is VKAYQHJTMWFXAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23FN2/c1-12(2)11(6-7-14(12)3)15-8-4-10(13)5-9-15/h10-11H,4-9H2,1-3H3.
What are the key properties of 4-fluoro-1-(1,2,2-trimethylpyrrolidin-3-yl)piperidine?
4-fluoro-1-(1,2,2-trimethylpyrrolidin-3-yl)piperidine has a molecular weight of 214.33 g/mol, XLogP of 1.90, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-1-(1,2,2-trimethylpyrrolidin-3-yl)piperidine is sourced from PubChem (CID 166870170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).