tert-butyl (4R)-4-(2-methylphenyl)-3-oxopiperidine-1-carboxylate

C17H23NO3 — CID 95566700

IUPACtert-butyl (4R)-4-(2-methylphenyl)-3-oxopiperidine-1-carboxylate
SMILESCc1ccccc1[C@H]1CCN(C(=O)OC(C)(C)C)CC1=O
InChIInChI=1S/C17H23NO3/c1-12-7-5-6-8-13(12)14-9-10-18(11-15(14)19)16(20)21-17(2,3)4/h5-8,14H,9-11H2,1-4H3/t14-/m1/s1
InChIKeyRBNAHFRUHQYWED-CQSZACIVSA-N
MW289.38 g/mol
LogP3.29
Rot. Bonds1

About tert-butyl (4R)-4-(2-methylphenyl)-3-oxopiperidine-1-carboxylate

tert-butyl (4R)-4-(2-methylphenyl)-3-oxopiperidine-1-carboxylate (PubChem CID 95566700) has the molecular formula C17H23NO3 and a molecular weight of 289.38 g/mol. Its IUPAC name is tert-butyl (4R)-4-(2-methylphenyl)-3-oxopiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (4R)-4-(2-methylphenyl)-3-oxopiperidine-1-carboxylate
PubChem CID95566700
Molecular FormulaC17H23NO3
Molecular Weight289.38 g/mol
Exact Mass289.17
IUPAC Nametert-butyl (4R)-4-(2-methylphenyl)-3-oxopiperidine-1-carboxylate
SMILESCc1ccccc1[C@H]1CCN(C(=O)OC(C)(C)C)CC1=O
InChIInChI=1S/C17H23NO3/c1-12-7-5-6-8-13(12)14-9-10-18(11-15(14)19)16(20)21-17(2,3)4/h5-8,14H,9-11H2,1-4H3/t14-/m1/s1
InChIKeyRBNAHFRUHQYWED-CQSZACIVSA-N
XLogP3.29
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl (4S)-4-(2,3-dimethylphenyl)-3-oxopiperidine-1-carboxylate
CID 95566705
tert-butyl (4S)-4-(4-fluoro-2-methylphenyl)-3-oxopiperidine-1-carboxylate
CID 95566777
tert-butyl (4R)-4-(4-methoxyphenyl)-3-oxopiperidine-1-carboxylate
CID 95566612
tert-butyl (3S,4R)-3-hydroxy-4-(2-methylphenyl)piperidine-1-carboxylate
CID 95566698
tert-butyl (4S)-4-(3-methoxyphenyl)-3-oxopiperidine-1-carboxylate
CID 95566665
tert-butyl (3S,4S)-3-amino-4-(2-methylphenyl)piperidine-1-carboxylate
CID 39872168
tert-butyl (4R)-4-methyl-3-oxopiperidine-1-carboxylate
CID 97007931
(4R)-4-(2-methylphenyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carboxylic acid
CID 71164310
(3R,4R)-4-(2-methylphenyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carboxylic acid
CID 58248370
tert-butyl 2-(2-methylphenyl)pyrrolidine-1-carboxylate;ethane
CID 144843357
tert-butyl 4-methyl-3-oxopiperidine-1-carboxylate;(1R)-1-phenylethanamine
CID 90781109
tert-butyl 4-cyano-3-oxopiperidine-1-carboxylate
CID 71695402

Frequently Asked Questions

What is the IUPAC name of tert-butyl (4R)-4-(2-methylphenyl)-3-oxopiperidine-1-carboxylate?
The IUPAC name of tert-butyl (4R)-4-(2-methylphenyl)-3-oxopiperidine-1-carboxylate (CID 95566700) is tert-butyl (4R)-4-(2-methylphenyl)-3-oxopiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl (4R)-4-(2-methylphenyl)-3-oxopiperidine-1-carboxylate?
The canonical SMILES for tert-butyl (4R)-4-(2-methylphenyl)-3-oxopiperidine-1-carboxylate is Cc1ccccc1[C@H]1CCN(C(=O)OC(C)(C)C)CC1=O.
What is the InChIKey of tert-butyl (4R)-4-(2-methylphenyl)-3-oxopiperidine-1-carboxylate?
The InChIKey is RBNAHFRUHQYWED-CQSZACIVSA-N. The full InChI is InChI=1S/C17H23NO3/c1-12-7-5-6-8-13(12)14-9-10-18(11-15(14)19)16(20)21-17(2,3)4/h5-8,14H,9-11H2,1-4H3/t14-/m1/s1.
What are the key properties of tert-butyl (4R)-4-(2-methylphenyl)-3-oxopiperidine-1-carboxylate?
tert-butyl (4R)-4-(2-methylphenyl)-3-oxopiperidine-1-carboxylate has a molecular weight of 289.38 g/mol, XLogP of 3.29, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (4R)-4-(2-methylphenyl)-3-oxopiperidine-1-carboxylate is sourced from PubChem (CID 95566700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).