tert-butyl (6S)-2-methyl-6-(4-methylpentyl)piperidine-1-carboxylate

C17H33NO2 — CID 70015662

IUPACtert-butyl (6S)-2-methyl-6-(4-methylpentyl)piperidine-1-carboxylate
SMILESCC(C)CCC[C@H]1CCCC(C)N1C(=O)OC(C)(C)C
InChIInChI=1S/C17H33NO2/c1-13(2)9-7-11-15-12-8-10-14(3)18(15)16(19)20-17(4,5)6/h13-15H,7-12H2,1-6H3/t14?,15-/m0/s1
InChIKeyXGZBCQIWMCMGKZ-LOACHALJSA-N
MW283.46 g/mol
LogP4.99
Rot. Bonds4

About tert-butyl (6S)-2-methyl-6-(4-methylpentyl)piperidine-1-carboxylate

tert-butyl (6S)-2-methyl-6-(4-methylpentyl)piperidine-1-carboxylate (PubChem CID 70015662) has the molecular formula C17H33NO2 and a molecular weight of 283.46 g/mol. Its IUPAC name is tert-butyl (6S)-2-methyl-6-(4-methylpentyl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (6S)-2-methyl-6-(4-methylpentyl)piperidine-1-carboxylate
PubChem CID70015662
Molecular FormulaC17H33NO2
Molecular Weight283.46 g/mol
Exact Mass283.25
IUPAC Nametert-butyl (6S)-2-methyl-6-(4-methylpentyl)piperidine-1-carboxylate
SMILESCC(C)CCC[C@H]1CCCC(C)N1C(=O)OC(C)(C)C
InChIInChI=1S/C17H33NO2/c1-13(2)9-7-11-15-12-8-10-14(3)18(15)16(19)20-17(4,5)6/h13-15H,7-12H2,1-6H3/t14?,15-/m0/s1
InChIKeyXGZBCQIWMCMGKZ-LOACHALJSA-N
XLogP4.99
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.46
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

tert-butyl (2R,6S)-2-methyl-6-propylpiperidine-1-carboxylate
CID 10900787
tert-butyl (6R)-2,6-dimethylpiperidine-1-carboxylate
CID 144878026
tert-butyl 2-(2-cyclohexyl-2-oxoethyl)-6-methylpiperidine-1-carboxylate
CID 104892491
tert-butyl 2-methyl-6-[2-(1-methylcyclopropyl)-2-oxoethyl]piperidine-1-carboxylate
CID 116685387
tert-butyl 2-[[2-hydroxypropyl(methyl)amino]methyl]-5-methylpyrrolidine-1-carboxylate
CID 172588123
tert-butyl 2-ethoxy-6-(4-oxobutyl)piperidine-1-carboxylate
CID 11087869
ditert-butyl (2S,5S)-5-(2-hydroxyethyl)pyrrolidine-1,2-dicarboxylate
CID 91484630
tert-butyl 2-methyl-6-(2-oxo-2-thiophen-2-ylethyl)piperidine-1-carboxylate
CID 104892458
tert-butyl 3-(5-methylhexanoyl)-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 171937893
tert-butyl (2S)-2-[(12S)-12-hydroxytridecyl]pyrrolidine-1-carboxylate
CID 11068638
tert-butyl (2R,5R)-2-(hydroxymethyl)-5-propylpyrrolidine-1-carboxylate;tert-butyl (2S,5R)-2-methyl-5-propylpyrrolidine-1-carboxylate;carbon dioxide
CID 165081876
1-O-tert-butyl 2-O-methyl 6-propylpiperidine-1,2-dicarboxylate
CID 59679477

Frequently Asked Questions

What is the IUPAC name of tert-butyl (6S)-2-methyl-6-(4-methylpentyl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl (6S)-2-methyl-6-(4-methylpentyl)piperidine-1-carboxylate (CID 70015662) is tert-butyl (6S)-2-methyl-6-(4-methylpentyl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl (6S)-2-methyl-6-(4-methylpentyl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl (6S)-2-methyl-6-(4-methylpentyl)piperidine-1-carboxylate is CC(C)CCC[C@H]1CCCC(C)N1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (6S)-2-methyl-6-(4-methylpentyl)piperidine-1-carboxylate?
The InChIKey is XGZBCQIWMCMGKZ-LOACHALJSA-N. The full InChI is InChI=1S/C17H33NO2/c1-13(2)9-7-11-15-12-8-10-14(3)18(15)16(19)20-17(4,5)6/h13-15H,7-12H2,1-6H3/t14?,15-/m0/s1.
What are the key properties of tert-butyl (6S)-2-methyl-6-(4-methylpentyl)piperidine-1-carboxylate?
tert-butyl (6S)-2-methyl-6-(4-methylpentyl)piperidine-1-carboxylate has a molecular weight of 283.46 g/mol, XLogP of 4.99, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (6S)-2-methyl-6-(4-methylpentyl)piperidine-1-carboxylate is sourced from PubChem (CID 70015662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).