(3R)-1-(2,2-dimethylpropyl)-3-ethyl-3-fluoropiperidine

C12H24FN — CID 135037327

IUPAC(3R)-1-(2,2-dimethylpropyl)-3-ethyl-3-fluoropiperidine
SMILESCC[C@@]1(F)CCCN(CC(C)(C)C)C1
InChIInChI=1S/C12H24FN/c1-5-12(13)7-6-8-14(10-12)9-11(2,3)4/h5-10H2,1-4H3/t12-/m1/s1
InChIKeyMUTYEVROWRYSHI-GFCCVEGCSA-N
MW201.33 g/mol
LogP3.25
Rot. Bonds2

About (3R)-1-(2,2-dimethylpropyl)-3-ethyl-3-fluoropiperidine

(3R)-1-(2,2-dimethylpropyl)-3-ethyl-3-fluoropiperidine (PubChem CID 135037327) has the molecular formula C12H24FN and a molecular weight of 201.33 g/mol. Its IUPAC name is (3R)-1-(2,2-dimethylpropyl)-3-ethyl-3-fluoropiperidine.

Molecular Properties

Compound Name(3R)-1-(2,2-dimethylpropyl)-3-ethyl-3-fluoropiperidine
PubChem CID135037327
Molecular FormulaC12H24FN
Molecular Weight201.33 g/mol
Exact Mass201.19
IUPAC Name(3R)-1-(2,2-dimethylpropyl)-3-ethyl-3-fluoropiperidine
SMILESCC[C@@]1(F)CCCN(CC(C)(C)C)C1
InChIInChI=1S/C12H24FN/c1-5-12(13)7-6-8-14(10-12)9-11(2,3)4/h5-10H2,1-4H3/t12-/m1/s1
InChIKeyMUTYEVROWRYSHI-GFCCVEGCSA-N
XLogP3.25
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.33
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (3R)-1-(2,2-dimethylpropyl)-3-ethyl-3-fluoropiperidine?
The IUPAC name of (3R)-1-(2,2-dimethylpropyl)-3-ethyl-3-fluoropiperidine (CID 135037327) is (3R)-1-(2,2-dimethylpropyl)-3-ethyl-3-fluoropiperidine.
What is the SMILES notation for (3R)-1-(2,2-dimethylpropyl)-3-ethyl-3-fluoropiperidine?
The canonical SMILES for (3R)-1-(2,2-dimethylpropyl)-3-ethyl-3-fluoropiperidine is CC[C@@]1(F)CCCN(CC(C)(C)C)C1.
What is the InChIKey of (3R)-1-(2,2-dimethylpropyl)-3-ethyl-3-fluoropiperidine?
The InChIKey is MUTYEVROWRYSHI-GFCCVEGCSA-N. The full InChI is InChI=1S/C12H24FN/c1-5-12(13)7-6-8-14(10-12)9-11(2,3)4/h5-10H2,1-4H3/t12-/m1/s1.
What are the key properties of (3R)-1-(2,2-dimethylpropyl)-3-ethyl-3-fluoropiperidine?
(3R)-1-(2,2-dimethylpropyl)-3-ethyl-3-fluoropiperidine has a molecular weight of 201.33 g/mol, XLogP of 3.25, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(2,2-dimethylpropyl)-3-ethyl-3-fluoropiperidine is sourced from PubChem (CID 135037327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).