2-methylpentan-2-yl (3R)-1-(2,2,2-trifluoroacetyl)piperidine-3-carboxylate

C14H22F3NO3 — CID 102216140

IUPAC2-methylpentan-2-yl (3R)-1-(2,2,2-trifluoroacetyl)piperidine-3-carboxylate
SMILESCCCC(C)(C)OC(=O)[C@@H]1CCCN(C(=O)C(F)(F)F)C1
InChIInChI=1S/C14H22F3NO3/c1-4-7-13(2,3)21-11(19)10-6-5-8-18(9-10)12(20)14(15,16)17/h10H,4-9H2,1-3H3/t10-/m1/s1
InChIKeyVPKUBAIPVMZTEP-SNVBAGLBSA-N
MW309.33 g/mol
LogP2.91
Rot. Bonds4

About 2-methylpentan-2-yl (3R)-1-(2,2,2-trifluoroacetyl)piperidine-3-carboxylate

2-methylpentan-2-yl (3R)-1-(2,2,2-trifluoroacetyl)piperidine-3-carboxylate (PubChem CID 102216140) has the molecular formula C14H22F3NO3 and a molecular weight of 309.33 g/mol. Its IUPAC name is 2-methylpentan-2-yl (3R)-1-(2,2,2-trifluoroacetyl)piperidine-3-carboxylate.

Molecular Properties

Compound Name2-methylpentan-2-yl (3R)-1-(2,2,2-trifluoroacetyl)piperidine-3-carboxylate
PubChem CID102216140
Molecular FormulaC14H22F3NO3
Molecular Weight309.33 g/mol
Exact Mass309.16
IUPAC Name2-methylpentan-2-yl (3R)-1-(2,2,2-trifluoroacetyl)piperidine-3-carboxylate
SMILESCCCC(C)(C)OC(=O)[C@@H]1CCCN(C(=O)C(F)(F)F)C1
InChIInChI=1S/C14H22F3NO3/c1-4-7-13(2,3)21-11(19)10-6-5-8-18(9-10)12(20)14(15,16)17/h10H,4-9H2,1-3H3/t10-/m1/s1
InChIKeyVPKUBAIPVMZTEP-SNVBAGLBSA-N
XLogP2.91
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.33
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-methylpentan-2-yl (3R)-1-(2,2,2-trifluoroacetyl)piperidine-3-carboxylate with MolForge

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

Launch Full Analysis

Related Compounds

tert-butyl (3R)-1-(2,2,2-trifluoroacetyl)piperidine-3-carboxylate
CID 102216136
ethyl 4-[1-(2,2,2-trifluoroacetyl)piperidine-3-carbonyl]piperazine-1-carboxylate
CID 110344239
N-butyl-1-(2,2,2-trifluoroacetyl)piperidine-3-carboxamide
CID 110344181
1-(3-ethylpiperidin-1-yl)-2,2,2-trifluoroethanone
CID 62490949
methyl (3S)-1-(2,2-dimethylpropanoyl)piperidine-3-carboxylate
CID 78919329
methyl 1-(2-hydroxy-2-methylpropanoyl)piperidine-3-carboxylate
CID 103430283
ethyl 1-(2-amino-2-ethylbutanoyl)piperidine-3-carboxylate
CID 79810016
N-cyclopropyl-1-(2,2,2-trifluoroacetyl)piperidine-3-carboxamide
CID 110344179
2,2-dimethyl-1-[(3R)-3-(piperidine-1-carbonyl)piperidin-1-yl]propan-1-one
CID 94857668
tert-butyl (3S)-3-(2,2,2-trifluoroacetyl)piperidine-1-carboxylate
CID 95566430
ethyl 1-[1-(2,2-dimethylpropanoyl)piperidine-4-carbonyl]piperidine-3-carboxylate
CID 55363206
(4-iodo-2-methylbutan-2-yl) cyclohexanecarboxylate
CID 89208476

Frequently Asked Questions

What is the IUPAC name of 2-methylpentan-2-yl (3R)-1-(2,2,2-trifluoroacetyl)piperidine-3-carboxylate?
The IUPAC name of 2-methylpentan-2-yl (3R)-1-(2,2,2-trifluoroacetyl)piperidine-3-carboxylate (CID 102216140) is 2-methylpentan-2-yl (3R)-1-(2,2,2-trifluoroacetyl)piperidine-3-carboxylate.
What is the SMILES notation for 2-methylpentan-2-yl (3R)-1-(2,2,2-trifluoroacetyl)piperidine-3-carboxylate?
The canonical SMILES for 2-methylpentan-2-yl (3R)-1-(2,2,2-trifluoroacetyl)piperidine-3-carboxylate is CCCC(C)(C)OC(=O)[C@@H]1CCCN(C(=O)C(F)(F)F)C1.
What is the InChIKey of 2-methylpentan-2-yl (3R)-1-(2,2,2-trifluoroacetyl)piperidine-3-carboxylate?
The InChIKey is VPKUBAIPVMZTEP-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H22F3NO3/c1-4-7-13(2,3)21-11(19)10-6-5-8-18(9-10)12(20)14(15,16)17/h10H,4-9H2,1-3H3/t10-/m1/s1.
What are the key properties of 2-methylpentan-2-yl (3R)-1-(2,2,2-trifluoroacetyl)piperidine-3-carboxylate?
2-methylpentan-2-yl (3R)-1-(2,2,2-trifluoroacetyl)piperidine-3-carboxylate has a molecular weight of 309.33 g/mol, XLogP of 2.91, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpentan-2-yl (3R)-1-(2,2,2-trifluoroacetyl)piperidine-3-carboxylate is sourced from PubChem (CID 102216140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).