2-(1-fluoro-1-piperidin-3-ylethyl)piperidine

C12H23FN2 — CID 112565009

IUPAC2-(1-fluoro-1-piperidin-3-ylethyl)piperidine
SMILESCC(F)(C1CCCNC1)C1CCCCN1
InChIInChI=1S/C12H23FN2/c1-12(13,10-5-4-7-14-9-10)11-6-2-3-8-15-11/h10-11,14-15H,2-9H2,1H3
InChIKeyOLVALBFWZONCSD-UHFFFAOYSA-N
MW214.33 g/mol
LogP1.86
Rot. Bonds2

About 2-(1-fluoro-1-piperidin-3-ylethyl)piperidine

2-(1-fluoro-1-piperidin-3-ylethyl)piperidine (PubChem CID 112565009) has the molecular formula C12H23FN2 and a molecular weight of 214.33 g/mol. Its IUPAC name is 2-(1-fluoro-1-piperidin-3-ylethyl)piperidine.

Molecular Properties

Compound Name2-(1-fluoro-1-piperidin-3-ylethyl)piperidine
PubChem CID112565009
Molecular FormulaC12H23FN2
Molecular Weight214.33 g/mol
Exact Mass214.18
IUPAC Name2-(1-fluoro-1-piperidin-3-ylethyl)piperidine
SMILESCC(F)(C1CCCNC1)C1CCCCN1
InChIInChI=1S/C12H23FN2/c1-12(13,10-5-4-7-14-9-10)11-6-2-3-8-15-11/h10-11,14-15H,2-9H2,1H3
InChIKeyOLVALBFWZONCSD-UHFFFAOYSA-N
XLogP1.86
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.33
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(1-fluoro-1-piperidin-3-ylethyl)piperidine?
The IUPAC name of 2-(1-fluoro-1-piperidin-3-ylethyl)piperidine (CID 112565009) is 2-(1-fluoro-1-piperidin-3-ylethyl)piperidine.
What is the SMILES notation for 2-(1-fluoro-1-piperidin-3-ylethyl)piperidine?
The canonical SMILES for 2-(1-fluoro-1-piperidin-3-ylethyl)piperidine is CC(F)(C1CCCNC1)C1CCCCN1.
What is the InChIKey of 2-(1-fluoro-1-piperidin-3-ylethyl)piperidine?
The InChIKey is OLVALBFWZONCSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23FN2/c1-12(13,10-5-4-7-14-9-10)11-6-2-3-8-15-11/h10-11,14-15H,2-9H2,1H3.
What are the key properties of 2-(1-fluoro-1-piperidin-3-ylethyl)piperidine?
2-(1-fluoro-1-piperidin-3-ylethyl)piperidine has a molecular weight of 214.33 g/mol, XLogP of 1.86, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-fluoro-1-piperidin-3-ylethyl)piperidine is sourced from PubChem (CID 112565009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).