5-fluoro-5-piperidin-4-yl-2,3,3a,4,6,6a-hexahydro-1H-cyclopenta[c]pyrrole

C12H21FN2 — CID 115028000

IUPAC5-fluoro-5-piperidin-4-yl-2,3,3a,4,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
SMILESFC1(C2CCNCC2)CC2CNCC2C1
InChIInChI=1S/C12H21FN2/c13-12(11-1-3-14-4-2-11)5-9-7-15-8-10(9)6-12/h9-11,14-15H,1-8H2
InChIKeyLHMNCSKGKFNNJT-UHFFFAOYSA-N
MW212.31 g/mol
LogP1.32
Rot. Bonds1

About 5-fluoro-5-piperidin-4-yl-2,3,3a,4,6,6a-hexahydro-1H-cyclopenta[c]pyrrole

5-fluoro-5-piperidin-4-yl-2,3,3a,4,6,6a-hexahydro-1H-cyclopenta[c]pyrrole (PubChem CID 115028000) has the molecular formula C12H21FN2 and a molecular weight of 212.31 g/mol. Its IUPAC name is 5-fluoro-5-piperidin-4-yl-2,3,3a,4,6,6a-hexahydro-1H-cyclopenta[c]pyrrole.

Molecular Properties

Compound Name5-fluoro-5-piperidin-4-yl-2,3,3a,4,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
PubChem CID115028000
Molecular FormulaC12H21FN2
Molecular Weight212.31 g/mol
Exact Mass212.17
IUPAC Name5-fluoro-5-piperidin-4-yl-2,3,3a,4,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
SMILESFC1(C2CCNCC2)CC2CNCC2C1
InChIInChI=1S/C12H21FN2/c13-12(11-1-3-14-4-2-11)5-9-7-15-8-10(9)6-12/h9-11,14-15H,1-8H2
InChIKeyLHMNCSKGKFNNJT-UHFFFAOYSA-N
XLogP1.32
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.31
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-5-piperidin-4-yl-2,3,3a,4,6,6a-hexahydro-1H-cyclopenta[c]pyrrole?
The IUPAC name of 5-fluoro-5-piperidin-4-yl-2,3,3a,4,6,6a-hexahydro-1H-cyclopenta[c]pyrrole (CID 115028000) is 5-fluoro-5-piperidin-4-yl-2,3,3a,4,6,6a-hexahydro-1H-cyclopenta[c]pyrrole.
What is the SMILES notation for 5-fluoro-5-piperidin-4-yl-2,3,3a,4,6,6a-hexahydro-1H-cyclopenta[c]pyrrole?
The canonical SMILES for 5-fluoro-5-piperidin-4-yl-2,3,3a,4,6,6a-hexahydro-1H-cyclopenta[c]pyrrole is FC1(C2CCNCC2)CC2CNCC2C1.
What is the InChIKey of 5-fluoro-5-piperidin-4-yl-2,3,3a,4,6,6a-hexahydro-1H-cyclopenta[c]pyrrole?
The InChIKey is LHMNCSKGKFNNJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21FN2/c13-12(11-1-3-14-4-2-11)5-9-7-15-8-10(9)6-12/h9-11,14-15H,1-8H2.
What are the key properties of 5-fluoro-5-piperidin-4-yl-2,3,3a,4,6,6a-hexahydro-1H-cyclopenta[c]pyrrole?
5-fluoro-5-piperidin-4-yl-2,3,3a,4,6,6a-hexahydro-1H-cyclopenta[c]pyrrole has a molecular weight of 212.31 g/mol, XLogP of 1.32, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-5-piperidin-4-yl-2,3,3a,4,6,6a-hexahydro-1H-cyclopenta[c]pyrrole is sourced from PubChem (CID 115028000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).