3-(2-bicyclo[2.2.1]heptanylmethyl)-3-fluoropiperidine

C13H22FN — CID 112562902

IUPAC3-(2-bicyclo[2.2.1]heptanylmethyl)-3-fluoropiperidine
SMILESFC1(CC2CC3CCC2C3)CCCNC1
InChIInChI=1S/C13H22FN/c14-13(4-1-5-15-9-13)8-12-7-10-2-3-11(12)6-10/h10-12,15H,1-9H2
InChIKeyYDMDPHFCBQBRTA-UHFFFAOYSA-N
MW211.32 g/mol
LogP2.90
Rot. Bonds2

About 3-(2-bicyclo[2.2.1]heptanylmethyl)-3-fluoropiperidine

3-(2-bicyclo[2.2.1]heptanylmethyl)-3-fluoropiperidine (PubChem CID 112562902) has the molecular formula C13H22FN and a molecular weight of 211.32 g/mol. Its IUPAC name is 3-(2-bicyclo[2.2.1]heptanylmethyl)-3-fluoropiperidine.

Molecular Properties

Compound Name3-(2-bicyclo[2.2.1]heptanylmethyl)-3-fluoropiperidine
PubChem CID112562902
Molecular FormulaC13H22FN
Molecular Weight211.32 g/mol
Exact Mass211.17
IUPAC Name3-(2-bicyclo[2.2.1]heptanylmethyl)-3-fluoropiperidine
SMILESFC1(CC2CC3CCC2C3)CCCNC1
InChIInChI=1S/C13H22FN/c14-13(4-1-5-15-9-13)8-12-7-10-2-3-11(12)6-10/h10-12,15H,1-9H2
InChIKeyYDMDPHFCBQBRTA-UHFFFAOYSA-N
XLogP2.90
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.32
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(2-bicyclo[2.2.1]heptanylmethyl)-3-fluoropiperidine?
The IUPAC name of 3-(2-bicyclo[2.2.1]heptanylmethyl)-3-fluoropiperidine (CID 112562902) is 3-(2-bicyclo[2.2.1]heptanylmethyl)-3-fluoropiperidine.
What is the SMILES notation for 3-(2-bicyclo[2.2.1]heptanylmethyl)-3-fluoropiperidine?
The canonical SMILES for 3-(2-bicyclo[2.2.1]heptanylmethyl)-3-fluoropiperidine is FC1(CC2CC3CCC2C3)CCCNC1.
What is the InChIKey of 3-(2-bicyclo[2.2.1]heptanylmethyl)-3-fluoropiperidine?
The InChIKey is YDMDPHFCBQBRTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22FN/c14-13(4-1-5-15-9-13)8-12-7-10-2-3-11(12)6-10/h10-12,15H,1-9H2.
What are the key properties of 3-(2-bicyclo[2.2.1]heptanylmethyl)-3-fluoropiperidine?
3-(2-bicyclo[2.2.1]heptanylmethyl)-3-fluoropiperidine has a molecular weight of 211.32 g/mol, XLogP of 2.90, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bicyclo[2.2.1]heptanylmethyl)-3-fluoropiperidine is sourced from PubChem (CID 112562902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).