(2R,4S)-1,4-ditert-butyl-2-(trifluoromethyl)piperidine

C14H26F3N — CID 146657054

IUPAC(2R,4S)-1,4-ditert-butyl-2-(trifluoromethyl)piperidine
SMILESCC(C)(C)[C@H]1CCN(C(C)(C)C)[C@@H](C(F)(F)F)C1
InChIInChI=1S/C14H26F3N/c1-12(2,3)10-7-8-18(13(4,5)6)11(9-10)14(15,16)17/h10-11H,7-9H2,1-6H3/t10-,11+/m0/s1
InChIKeySGEZSLOYLUFEGZ-WDEREUQCSA-N
MW265.36 g/mol
LogP4.47
Rot. Bonds

About (2R,4S)-1,4-ditert-butyl-2-(trifluoromethyl)piperidine

(2R,4S)-1,4-ditert-butyl-2-(trifluoromethyl)piperidine (PubChem CID 146657054) has the molecular formula C14H26F3N and a molecular weight of 265.36 g/mol. Its IUPAC name is (2R,4S)-1,4-ditert-butyl-2-(trifluoromethyl)piperidine.

Molecular Properties

Compound Name(2R,4S)-1,4-ditert-butyl-2-(trifluoromethyl)piperidine
PubChem CID146657054
Molecular FormulaC14H26F3N
Molecular Weight265.36 g/mol
Exact Mass265.20
IUPAC Name(2R,4S)-1,4-ditert-butyl-2-(trifluoromethyl)piperidine
SMILESCC(C)(C)[C@H]1CCN(C(C)(C)C)[C@@H](C(F)(F)F)C1
InChIInChI=1S/C14H26F3N/c1-12(2,3)10-7-8-18(13(4,5)6)11(9-10)14(15,16)17/h10-11H,7-9H2,1-6H3/t10-,11+/m0/s1
InChIKeySGEZSLOYLUFEGZ-WDEREUQCSA-N
XLogP4.47
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (2R,4S)-1,4-ditert-butyl-2-(trifluoromethyl)piperidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R,4S)-1,4-ditert-butyl-2-(trifluoromethyl)piperidine?
The IUPAC name of (2R,4S)-1,4-ditert-butyl-2-(trifluoromethyl)piperidine (CID 146657054) is (2R,4S)-1,4-ditert-butyl-2-(trifluoromethyl)piperidine.
What is the SMILES notation for (2R,4S)-1,4-ditert-butyl-2-(trifluoromethyl)piperidine?
The canonical SMILES for (2R,4S)-1,4-ditert-butyl-2-(trifluoromethyl)piperidine is CC(C)(C)[C@H]1CCN(C(C)(C)C)[C@@H](C(F)(F)F)C1.
What is the InChIKey of (2R,4S)-1,4-ditert-butyl-2-(trifluoromethyl)piperidine?
The InChIKey is SGEZSLOYLUFEGZ-WDEREUQCSA-N. The full InChI is InChI=1S/C14H26F3N/c1-12(2,3)10-7-8-18(13(4,5)6)11(9-10)14(15,16)17/h10-11H,7-9H2,1-6H3/t10-,11+/m0/s1.
What are the key properties of (2R,4S)-1,4-ditert-butyl-2-(trifluoromethyl)piperidine?
(2R,4S)-1,4-ditert-butyl-2-(trifluoromethyl)piperidine has a molecular weight of 265.36 g/mol, XLogP of 4.47, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S)-1,4-ditert-butyl-2-(trifluoromethyl)piperidine is sourced from PubChem (CID 146657054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).