(2R,5R)-5-(2,2-dimethylpropyl)-1-methyl-2-(trifluoromethyl)piperidine

C12H22F3N — CID 134170710

IUPAC(2R,5R)-5-(2,2-dimethylpropyl)-1-methyl-2-(trifluoromethyl)piperidine
SMILESCN1C[C@@H](CC(C)(C)C)CC[C@@H]1C(F)(F)F
InChIInChI=1S/C12H22F3N/c1-11(2,3)7-9-5-6-10(12(13,14)15)16(4)8-9/h9-10H,5-8H2,1-4H3/t9-,10-/m1/s1
InChIKeyGIHFJEPEBDNDLY-NXEZZACHSA-N
MW237.31 g/mol
LogP3.70
Rot. Bonds1

About (2R,5R)-5-(2,2-dimethylpropyl)-1-methyl-2-(trifluoromethyl)piperidine

(2R,5R)-5-(2,2-dimethylpropyl)-1-methyl-2-(trifluoromethyl)piperidine (PubChem CID 134170710) has the molecular formula C12H22F3N and a molecular weight of 237.31 g/mol. Its IUPAC name is (2R,5R)-5-(2,2-dimethylpropyl)-1-methyl-2-(trifluoromethyl)piperidine.

Molecular Properties

Compound Name(2R,5R)-5-(2,2-dimethylpropyl)-1-methyl-2-(trifluoromethyl)piperidine
PubChem CID134170710
Molecular FormulaC12H22F3N
Molecular Weight237.31 g/mol
Exact Mass237.17
IUPAC Name(2R,5R)-5-(2,2-dimethylpropyl)-1-methyl-2-(trifluoromethyl)piperidine
SMILESCN1C[C@@H](CC(C)(C)C)CC[C@@H]1C(F)(F)F
InChIInChI=1S/C12H22F3N/c1-11(2,3)7-9-5-6-10(12(13,14)15)16(4)8-9/h9-10H,5-8H2,1-4H3/t9-,10-/m1/s1
InChIKeyGIHFJEPEBDNDLY-NXEZZACHSA-N
XLogP3.70
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.31
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2R,5R)-5-(2,2-dimethylpropyl)-1-methyl-2-(trifluoromethyl)piperidine?
The IUPAC name of (2R,5R)-5-(2,2-dimethylpropyl)-1-methyl-2-(trifluoromethyl)piperidine (CID 134170710) is (2R,5R)-5-(2,2-dimethylpropyl)-1-methyl-2-(trifluoromethyl)piperidine.
What is the SMILES notation for (2R,5R)-5-(2,2-dimethylpropyl)-1-methyl-2-(trifluoromethyl)piperidine?
The canonical SMILES for (2R,5R)-5-(2,2-dimethylpropyl)-1-methyl-2-(trifluoromethyl)piperidine is CN1C[C@@H](CC(C)(C)C)CC[C@@H]1C(F)(F)F.
What is the InChIKey of (2R,5R)-5-(2,2-dimethylpropyl)-1-methyl-2-(trifluoromethyl)piperidine?
The InChIKey is GIHFJEPEBDNDLY-NXEZZACHSA-N. The full InChI is InChI=1S/C12H22F3N/c1-11(2,3)7-9-5-6-10(12(13,14)15)16(4)8-9/h9-10H,5-8H2,1-4H3/t9-,10-/m1/s1.
What are the key properties of (2R,5R)-5-(2,2-dimethylpropyl)-1-methyl-2-(trifluoromethyl)piperidine?
(2R,5R)-5-(2,2-dimethylpropyl)-1-methyl-2-(trifluoromethyl)piperidine has a molecular weight of 237.31 g/mol, XLogP of 3.70, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5R)-5-(2,2-dimethylpropyl)-1-methyl-2-(trifluoromethyl)piperidine is sourced from PubChem (CID 134170710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).