4-(2,2-dimethylpropyl)-4-fluoro-1-propylpiperidine

C13H26FN — CID 58530744

IUPAC4-(2,2-dimethylpropyl)-4-fluoro-1-propylpiperidine
SMILESCCCN1CCC(F)(CC(C)(C)C)CC1
InChIInChI=1S/C13H26FN/c1-5-8-15-9-6-13(14,7-10-15)11-12(2,3)4/h5-11H2,1-4H3
InChIKeyLIKJSCHHBWDPBM-UHFFFAOYSA-N
MW215.36 g/mol
LogP3.64
Rot. Bonds3

About 4-(2,2-dimethylpropyl)-4-fluoro-1-propylpiperidine

4-(2,2-dimethylpropyl)-4-fluoro-1-propylpiperidine (PubChem CID 58530744) has the molecular formula C13H26FN and a molecular weight of 215.36 g/mol. Its IUPAC name is 4-(2,2-dimethylpropyl)-4-fluoro-1-propylpiperidine.

Molecular Properties

Compound Name4-(2,2-dimethylpropyl)-4-fluoro-1-propylpiperidine
PubChem CID58530744
Molecular FormulaC13H26FN
Molecular Weight215.36 g/mol
Exact Mass215.20
IUPAC Name4-(2,2-dimethylpropyl)-4-fluoro-1-propylpiperidine
SMILESCCCN1CCC(F)(CC(C)(C)C)CC1
InChIInChI=1S/C13H26FN/c1-5-8-15-9-6-13(14,7-10-15)11-12(2,3)4/h5-11H2,1-4H3
InChIKeyLIKJSCHHBWDPBM-UHFFFAOYSA-N
XLogP3.64
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.36
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(2,2-dimethylpropyl)-4-fluoro-1-propylpiperidine?
The IUPAC name of 4-(2,2-dimethylpropyl)-4-fluoro-1-propylpiperidine (CID 58530744) is 4-(2,2-dimethylpropyl)-4-fluoro-1-propylpiperidine.
What is the SMILES notation for 4-(2,2-dimethylpropyl)-4-fluoro-1-propylpiperidine?
The canonical SMILES for 4-(2,2-dimethylpropyl)-4-fluoro-1-propylpiperidine is CCCN1CCC(F)(CC(C)(C)C)CC1.
What is the InChIKey of 4-(2,2-dimethylpropyl)-4-fluoro-1-propylpiperidine?
The InChIKey is LIKJSCHHBWDPBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26FN/c1-5-8-15-9-6-13(14,7-10-15)11-12(2,3)4/h5-11H2,1-4H3.
What are the key properties of 4-(2,2-dimethylpropyl)-4-fluoro-1-propylpiperidine?
4-(2,2-dimethylpropyl)-4-fluoro-1-propylpiperidine has a molecular weight of 215.36 g/mol, XLogP of 3.64, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-dimethylpropyl)-4-fluoro-1-propylpiperidine is sourced from PubChem (CID 58530744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).