(3R)-4-(2,2-dimethylpropyl)-3-fluoro-1-methylpiperidine

C11H22FN — CID 58286851

IUPAC(3R)-4-(2,2-dimethylpropyl)-3-fluoro-1-methylpiperidine
SMILESCN1CCC(CC(C)(C)C)[C@@H](F)C1
InChIInChI=1S/C11H22FN/c1-11(2,3)7-9-5-6-13(4)8-10(9)12/h9-10H,5-8H2,1-4H3/t9?,10-/m0/s1
InChIKeyVEODQTZQXLZNJB-AXDSSHIGSA-N
MW187.30 g/mol
LogP2.71
Rot. Bonds1

About (3R)-4-(2,2-dimethylpropyl)-3-fluoro-1-methylpiperidine

(3R)-4-(2,2-dimethylpropyl)-3-fluoro-1-methylpiperidine (PubChem CID 58286851) has the molecular formula C11H22FN and a molecular weight of 187.30 g/mol. Its IUPAC name is (3R)-4-(2,2-dimethylpropyl)-3-fluoro-1-methylpiperidine.

Molecular Properties

Compound Name(3R)-4-(2,2-dimethylpropyl)-3-fluoro-1-methylpiperidine
PubChem CID58286851
Molecular FormulaC11H22FN
Molecular Weight187.30 g/mol
Exact Mass187.17
IUPAC Name(3R)-4-(2,2-dimethylpropyl)-3-fluoro-1-methylpiperidine
SMILESCN1CCC(CC(C)(C)C)[C@@H](F)C1
InChIInChI=1S/C11H22FN/c1-11(2,3)7-9-5-6-13(4)8-10(9)12/h9-10H,5-8H2,1-4H3/t9?,10-/m0/s1
InChIKeyVEODQTZQXLZNJB-AXDSSHIGSA-N
XLogP2.71
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.30
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (3R)-4-(2,2-dimethylpropyl)-3-fluoro-1-methylpiperidine?
The IUPAC name of (3R)-4-(2,2-dimethylpropyl)-3-fluoro-1-methylpiperidine (CID 58286851) is (3R)-4-(2,2-dimethylpropyl)-3-fluoro-1-methylpiperidine.
What is the SMILES notation for (3R)-4-(2,2-dimethylpropyl)-3-fluoro-1-methylpiperidine?
The canonical SMILES for (3R)-4-(2,2-dimethylpropyl)-3-fluoro-1-methylpiperidine is CN1CCC(CC(C)(C)C)[C@@H](F)C1.
What is the InChIKey of (3R)-4-(2,2-dimethylpropyl)-3-fluoro-1-methylpiperidine?
The InChIKey is VEODQTZQXLZNJB-AXDSSHIGSA-N. The full InChI is InChI=1S/C11H22FN/c1-11(2,3)7-9-5-6-13(4)8-10(9)12/h9-10H,5-8H2,1-4H3/t9?,10-/m0/s1.
What are the key properties of (3R)-4-(2,2-dimethylpropyl)-3-fluoro-1-methylpiperidine?
(3R)-4-(2,2-dimethylpropyl)-3-fluoro-1-methylpiperidine has a molecular weight of 187.30 g/mol, XLogP of 2.71, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-4-(2,2-dimethylpropyl)-3-fluoro-1-methylpiperidine is sourced from PubChem (CID 58286851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).