3-fluoro-1-(pyrrolidin-2-ylmethyl)piperidine

C10H19FN2 — CID 18179657

IUPAC3-fluoro-1-(pyrrolidin-2-ylmethyl)piperidine
SMILESFC1CCCN(CC2CCCN2)C1
InChIInChI=1S/C10H19FN2/c11-9-3-2-6-13(7-9)8-10-4-1-5-12-10/h9-10,12H,1-8H2
InChIKeyJXGWVUTVTORAJX-UHFFFAOYSA-N
MW186.27 g/mol
LogP1.17
Rot. Bonds2

About 3-fluoro-1-(pyrrolidin-2-ylmethyl)piperidine

3-fluoro-1-(pyrrolidin-2-ylmethyl)piperidine (PubChem CID 18179657) has the molecular formula C10H19FN2 and a molecular weight of 186.27 g/mol. Its IUPAC name is 3-fluoro-1-(pyrrolidin-2-ylmethyl)piperidine.

Molecular Properties

Compound Name3-fluoro-1-(pyrrolidin-2-ylmethyl)piperidine
PubChem CID18179657
Molecular FormulaC10H19FN2
Molecular Weight186.27 g/mol
Exact Mass186.15
IUPAC Name3-fluoro-1-(pyrrolidin-2-ylmethyl)piperidine
SMILESFC1CCCN(CC2CCCN2)C1
InChIInChI=1S/C10H19FN2/c11-9-3-2-6-13(7-9)8-10-4-1-5-12-10/h9-10,12H,1-8H2
InChIKeyJXGWVUTVTORAJX-UHFFFAOYSA-N
XLogP1.17
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.27
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-1-(pyrrolidin-2-ylmethyl)piperidine?
The IUPAC name of 3-fluoro-1-(pyrrolidin-2-ylmethyl)piperidine (CID 18179657) is 3-fluoro-1-(pyrrolidin-2-ylmethyl)piperidine.
What is the SMILES notation for 3-fluoro-1-(pyrrolidin-2-ylmethyl)piperidine?
The canonical SMILES for 3-fluoro-1-(pyrrolidin-2-ylmethyl)piperidine is FC1CCCN(CC2CCCN2)C1.
What is the InChIKey of 3-fluoro-1-(pyrrolidin-2-ylmethyl)piperidine?
The InChIKey is JXGWVUTVTORAJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19FN2/c11-9-3-2-6-13(7-9)8-10-4-1-5-12-10/h9-10,12H,1-8H2.
What are the key properties of 3-fluoro-1-(pyrrolidin-2-ylmethyl)piperidine?
3-fluoro-1-(pyrrolidin-2-ylmethyl)piperidine has a molecular weight of 186.27 g/mol, XLogP of 1.17, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-1-(pyrrolidin-2-ylmethyl)piperidine is sourced from PubChem (CID 18179657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).