4-(2,2-dimethylpropyl)-4-fluoropiperidine

C10H20FN — CID 58530836

IUPAC4-(2,2-dimethylpropyl)-4-fluoropiperidine
SMILESCC(C)(C)CC1(F)CCNCC1
InChIInChI=1S/C10H20FN/c1-9(2,3)8-10(11)4-6-12-7-5-10/h12H,4-8H2,1-3H3
InChIKeyJGKRTYGMBREGCJ-UHFFFAOYSA-N
MW173.27 g/mol
LogP2.51
Rot. Bonds1

About 4-(2,2-dimethylpropyl)-4-fluoropiperidine

4-(2,2-dimethylpropyl)-4-fluoropiperidine (PubChem CID 58530836) has the molecular formula C10H20FN and a molecular weight of 173.27 g/mol. Its IUPAC name is 4-(2,2-dimethylpropyl)-4-fluoropiperidine.

Molecular Properties

Compound Name4-(2,2-dimethylpropyl)-4-fluoropiperidine
PubChem CID58530836
Molecular FormulaC10H20FN
Molecular Weight173.27 g/mol
Exact Mass173.16
IUPAC Name4-(2,2-dimethylpropyl)-4-fluoropiperidine
SMILESCC(C)(C)CC1(F)CCNCC1
InChIInChI=1S/C10H20FN/c1-9(2,3)8-10(11)4-6-12-7-5-10/h12H,4-8H2,1-3H3
InChIKeyJGKRTYGMBREGCJ-UHFFFAOYSA-N
XLogP2.51
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.27
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(2,2-dimethylpropyl)-4-fluoropiperidine?
The IUPAC name of 4-(2,2-dimethylpropyl)-4-fluoropiperidine (CID 58530836) is 4-(2,2-dimethylpropyl)-4-fluoropiperidine.
What is the SMILES notation for 4-(2,2-dimethylpropyl)-4-fluoropiperidine?
The canonical SMILES for 4-(2,2-dimethylpropyl)-4-fluoropiperidine is CC(C)(C)CC1(F)CCNCC1.
What is the InChIKey of 4-(2,2-dimethylpropyl)-4-fluoropiperidine?
The InChIKey is JGKRTYGMBREGCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20FN/c1-9(2,3)8-10(11)4-6-12-7-5-10/h12H,4-8H2,1-3H3.
What are the key properties of 4-(2,2-dimethylpropyl)-4-fluoropiperidine?
4-(2,2-dimethylpropyl)-4-fluoropiperidine has a molecular weight of 173.27 g/mol, XLogP of 2.51, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-dimethylpropyl)-4-fluoropiperidine is sourced from PubChem (CID 58530836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).