4-fluoro-4-[[(3S)-3-methylpyrrolidin-1-yl]methyl]piperidine

C11H21FN2 — CID 176562165

IUPAC4-fluoro-4-[[(3S)-3-methylpyrrolidin-1-yl]methyl]piperidine
SMILESC[C@H]1CCN(CC2(F)CCNCC2)C1
InChIInChI=1S/C11H21FN2/c1-10-2-7-14(8-10)9-11(12)3-5-13-6-4-11/h10,13H,2-9H2,1H3/t10-/m0/s1
InChIKeyFZUBOJIIWWHWAG-JTQLQIEISA-N
MW200.30 g/mol
LogP1.42
Rot. Bonds2

About 4-fluoro-4-[[(3S)-3-methylpyrrolidin-1-yl]methyl]piperidine

4-fluoro-4-[[(3S)-3-methylpyrrolidin-1-yl]methyl]piperidine (PubChem CID 176562165) has the molecular formula C11H21FN2 and a molecular weight of 200.30 g/mol. Its IUPAC name is 4-fluoro-4-[[(3S)-3-methylpyrrolidin-1-yl]methyl]piperidine.

Molecular Properties

Compound Name4-fluoro-4-[[(3S)-3-methylpyrrolidin-1-yl]methyl]piperidine
PubChem CID176562165
Molecular FormulaC11H21FN2
Molecular Weight200.30 g/mol
Exact Mass200.17
IUPAC Name4-fluoro-4-[[(3S)-3-methylpyrrolidin-1-yl]methyl]piperidine
SMILESC[C@H]1CCN(CC2(F)CCNCC2)C1
InChIInChI=1S/C11H21FN2/c1-10-2-7-14(8-10)9-11(12)3-5-13-6-4-11/h10,13H,2-9H2,1H3/t10-/m0/s1
InChIKeyFZUBOJIIWWHWAG-JTQLQIEISA-N
XLogP1.42
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.30
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-4-[[(3S)-3-methylpyrrolidin-1-yl]methyl]piperidine?
The IUPAC name of 4-fluoro-4-[[(3S)-3-methylpyrrolidin-1-yl]methyl]piperidine (CID 176562165) is 4-fluoro-4-[[(3S)-3-methylpyrrolidin-1-yl]methyl]piperidine.
What is the SMILES notation for 4-fluoro-4-[[(3S)-3-methylpyrrolidin-1-yl]methyl]piperidine?
The canonical SMILES for 4-fluoro-4-[[(3S)-3-methylpyrrolidin-1-yl]methyl]piperidine is C[C@H]1CCN(CC2(F)CCNCC2)C1.
What is the InChIKey of 4-fluoro-4-[[(3S)-3-methylpyrrolidin-1-yl]methyl]piperidine?
The InChIKey is FZUBOJIIWWHWAG-JTQLQIEISA-N. The full InChI is InChI=1S/C11H21FN2/c1-10-2-7-14(8-10)9-11(12)3-5-13-6-4-11/h10,13H,2-9H2,1H3/t10-/m0/s1.
What are the key properties of 4-fluoro-4-[[(3S)-3-methylpyrrolidin-1-yl]methyl]piperidine?
4-fluoro-4-[[(3S)-3-methylpyrrolidin-1-yl]methyl]piperidine has a molecular weight of 200.30 g/mol, XLogP of 1.42, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-4-[[(3S)-3-methylpyrrolidin-1-yl]methyl]piperidine is sourced from PubChem (CID 176562165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).