1-[[(3R,5R)-3-fluoro-5-methylpyrrolidin-3-yl]methyl]piperazine

C10H20FN3 — CID 153298348

IUPAC1-[[(3R,5R)-3-fluoro-5-methylpyrrolidin-3-yl]methyl]piperazine
SMILESC[C@@H]1C[C@](F)(CN2CCNCC2)CN1
InChIInChI=1S/C10H20FN3/c1-9-6-10(11,7-13-9)8-14-4-2-12-3-5-14/h9,12-13H,2-8H2,1H3/t9-,10-/m1/s1
InChIKeyLJSQXFICNSAVHC-NXEZZACHSA-N
MW201.29 g/mol
LogP-0.02
Rot. Bonds2

About 1-[[(3R,5R)-3-fluoro-5-methylpyrrolidin-3-yl]methyl]piperazine

1-[[(3R,5R)-3-fluoro-5-methylpyrrolidin-3-yl]methyl]piperazine (PubChem CID 153298348) has the molecular formula C10H20FN3 and a molecular weight of 201.29 g/mol. Its IUPAC name is 1-[[(3R,5R)-3-fluoro-5-methylpyrrolidin-3-yl]methyl]piperazine.

Molecular Properties

Compound Name1-[[(3R,5R)-3-fluoro-5-methylpyrrolidin-3-yl]methyl]piperazine
PubChem CID153298348
Molecular FormulaC10H20FN3
Molecular Weight201.29 g/mol
Exact Mass201.16
IUPAC Name1-[[(3R,5R)-3-fluoro-5-methylpyrrolidin-3-yl]methyl]piperazine
SMILESC[C@@H]1C[C@](F)(CN2CCNCC2)CN1
InChIInChI=1S/C10H20FN3/c1-9-6-10(11,7-13-9)8-14-4-2-12-3-5-14/h9,12-13H,2-8H2,1H3/t9-,10-/m1/s1
InChIKeyLJSQXFICNSAVHC-NXEZZACHSA-N
XLogP-0.02
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.29
LogP ≤ 5-0.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[[(3R,5R)-3-fluoro-5-methylpyrrolidin-3-yl]methyl]piperazine?
The IUPAC name of 1-[[(3R,5R)-3-fluoro-5-methylpyrrolidin-3-yl]methyl]piperazine (CID 153298348) is 1-[[(3R,5R)-3-fluoro-5-methylpyrrolidin-3-yl]methyl]piperazine.
What is the SMILES notation for 1-[[(3R,5R)-3-fluoro-5-methylpyrrolidin-3-yl]methyl]piperazine?
The canonical SMILES for 1-[[(3R,5R)-3-fluoro-5-methylpyrrolidin-3-yl]methyl]piperazine is C[C@@H]1C[C@](F)(CN2CCNCC2)CN1.
What is the InChIKey of 1-[[(3R,5R)-3-fluoro-5-methylpyrrolidin-3-yl]methyl]piperazine?
The InChIKey is LJSQXFICNSAVHC-NXEZZACHSA-N. The full InChI is InChI=1S/C10H20FN3/c1-9-6-10(11,7-13-9)8-14-4-2-12-3-5-14/h9,12-13H,2-8H2,1H3/t9-,10-/m1/s1.
What are the key properties of 1-[[(3R,5R)-3-fluoro-5-methylpyrrolidin-3-yl]methyl]piperazine?
1-[[(3R,5R)-3-fluoro-5-methylpyrrolidin-3-yl]methyl]piperazine has a molecular weight of 201.29 g/mol, XLogP of -0.02, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(3R,5R)-3-fluoro-5-methylpyrrolidin-3-yl]methyl]piperazine is sourced from PubChem (CID 153298348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).