tert-butyl (2R)-2-methyl-2-phenylpiperidine-1-carboxylate

C17H25NO2 — CID 102345334

IUPACtert-butyl (2R)-2-methyl-2-phenylpiperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC[C@]1(C)c1ccccc1
InChIInChI=1S/C17H25NO2/c1-16(2,3)20-15(19)18-13-9-8-12-17(18,4)14-10-6-5-7-11-14/h5-7,10-11H,8-9,12-13H2,1-4H3/t17-/m1/s1
InChIKeyWAVNRUNVRWHPKF-QGZVFWFLSA-N
MW275.39 g/mol
LogP4.32
Rot. Bonds1

About tert-butyl (2R)-2-methyl-2-phenylpiperidine-1-carboxylate

tert-butyl (2R)-2-methyl-2-phenylpiperidine-1-carboxylate (PubChem CID 102345334) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is tert-butyl (2R)-2-methyl-2-phenylpiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2R)-2-methyl-2-phenylpiperidine-1-carboxylate
PubChem CID102345334
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Nametert-butyl (2R)-2-methyl-2-phenylpiperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC[C@]1(C)c1ccccc1
InChIInChI=1S/C17H25NO2/c1-16(2,3)20-15(19)18-13-9-8-12-17(18,4)14-10-6-5-7-11-14/h5-7,10-11H,8-9,12-13H2,1-4H3/t17-/m1/s1
InChIKeyWAVNRUNVRWHPKF-QGZVFWFLSA-N
XLogP4.32
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

tert-butyl 2-methyl-2-phenylazepane-1-carboxylate
CID 135033621
tert-butyl 2-methyl-4-oxo-2-phenylpyrrolidine-1-carboxylate
CID 86605055
tert-butyl 2-amino-2-methylpiperidine-1-carboxylate
CID 69118170
tert-butyl 2,2-difluoro-3-(fluoromethyl)-3-phenylpiperidine-1-carboxylate
CID 135390683
2-benzyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid
CID 152697309
2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid
CID 42614787
(2R)-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid
CID 27281688
tert-butyl 9-benzyl-1,9-diazaspiro[5.5]undecane-1-carboxylate
CID 66545135
tert-butyl (2R)-2-(hydroxymethyl)-2-methylazepane-1-carboxylate
CID 129462520
tert-butyl 4-phenyl-4-(pyrrolidine-1-carbonyl)piperidine-1-carboxylate
CID 22741767
2-[2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-2-yl]acetic acid
CID 115048061
tert-butyl (5R)-10-benzyl-11-oxo-1,10-diazaspiro[4.6]undecane-1-carboxylate
CID 102146444

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R)-2-methyl-2-phenylpiperidine-1-carboxylate?
The IUPAC name of tert-butyl (2R)-2-methyl-2-phenylpiperidine-1-carboxylate (CID 102345334) is tert-butyl (2R)-2-methyl-2-phenylpiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2R)-2-methyl-2-phenylpiperidine-1-carboxylate?
The canonical SMILES for tert-butyl (2R)-2-methyl-2-phenylpiperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCCC[C@]1(C)c1ccccc1.
What is the InChIKey of tert-butyl (2R)-2-methyl-2-phenylpiperidine-1-carboxylate?
The InChIKey is WAVNRUNVRWHPKF-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H25NO2/c1-16(2,3)20-15(19)18-13-9-8-12-17(18,4)14-10-6-5-7-11-14/h5-7,10-11H,8-9,12-13H2,1-4H3/t17-/m1/s1.
What are the key properties of tert-butyl (2R)-2-methyl-2-phenylpiperidine-1-carboxylate?
tert-butyl (2R)-2-methyl-2-phenylpiperidine-1-carboxylate has a molecular weight of 275.39 g/mol, XLogP of 4.32, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R)-2-methyl-2-phenylpiperidine-1-carboxylate is sourced from PubChem (CID 102345334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).