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

C10H20FN — CID 102380288

IUPAC(3R)-1-(2,2-dimethylpropyl)-3-fluoropiperidine
SMILESCC(C)(C)CN1CCC[C@@H](F)C1
InChIInChI=1S/C10H20FN/c1-10(2,3)8-12-6-4-5-9(11)7-12/h9H,4-8H2,1-3H3/t9-/m1/s1
InChIKeyPGDJUHGLHRMLAG-SECBINFHSA-N
MW173.27 g/mol
LogP2.47
Rot. Bonds1

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

(3R)-1-(2,2-dimethylpropyl)-3-fluoropiperidine (PubChem CID 102380288) has the molecular formula C10H20FN and a molecular weight of 173.27 g/mol. Its IUPAC name is (3R)-1-(2,2-dimethylpropyl)-3-fluoropiperidine.

Molecular Properties

Compound Name(3R)-1-(2,2-dimethylpropyl)-3-fluoropiperidine
PubChem CID102380288
Molecular FormulaC10H20FN
Molecular Weight173.27 g/mol
Exact Mass173.16
IUPAC Name(3R)-1-(2,2-dimethylpropyl)-3-fluoropiperidine
SMILESCC(C)(C)CN1CCC[C@@H](F)C1
InChIInChI=1S/C10H20FN/c1-10(2,3)8-12-6-4-5-9(11)7-12/h9H,4-8H2,1-3H3/t9-/m1/s1
InChIKeyPGDJUHGLHRMLAG-SECBINFHSA-N
XLogP2.47
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.27
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-Propylpiperidine
CID 21644
1-Pentylpiperidine
CID 25153
1-Butylpiperidine
CID 78654
Piperidine, 1-(2-methylpropyl)-
CID 139128
Piperidine, 3-fluoro-1-methyl-
CID 44306542
Piperidinium, 1-ethyl-1-methyl-, bromide
CID 20154
1-Butyl-1-methylpiperidin-1-ium
CID 4342487
1-Methyl-1-propylpiperidin-1-ium
CID 16726631
1,3,3-Trimethylpiperidine
CID 12413605
Piperidine, 1,3,3,5,5-pentamethyl-
CID 13700390
1,4,4-Trimethylpiperidine
CID 136794
1-(2-Fluoropropyl)piperidine
CID 101432305

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(2,2-dimethylpropyl)-3-fluoropiperidine?
The IUPAC name of (3R)-1-(2,2-dimethylpropyl)-3-fluoropiperidine (CID 102380288) is (3R)-1-(2,2-dimethylpropyl)-3-fluoropiperidine.
What is the SMILES notation for (3R)-1-(2,2-dimethylpropyl)-3-fluoropiperidine?
The canonical SMILES for (3R)-1-(2,2-dimethylpropyl)-3-fluoropiperidine is CC(C)(C)CN1CCC[C@@H](F)C1.
What is the InChIKey of (3R)-1-(2,2-dimethylpropyl)-3-fluoropiperidine?
The InChIKey is PGDJUHGLHRMLAG-SECBINFHSA-N. The full InChI is InChI=1S/C10H20FN/c1-10(2,3)8-12-6-4-5-9(11)7-12/h9H,4-8H2,1-3H3/t9-/m1/s1.
What are the key properties of (3R)-1-(2,2-dimethylpropyl)-3-fluoropiperidine?
(3R)-1-(2,2-dimethylpropyl)-3-fluoropiperidine has a molecular weight of 173.27 g/mol, XLogP of 2.47, 1 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-fluoropiperidine is sourced from PubChem (CID 102380288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).