tert-butyl (2R,6S)-2-methyl-6-(2-methylbutanoyl)piperidine-1-carboxylate

C16H29NO3 — CID 18718006

IUPACtert-butyl (2R,6S)-2-methyl-6-(2-methylbutanoyl)piperidine-1-carboxylate
SMILESCCC(C)C(=O)[C@@H]1CCC[C@@H](C)N1C(=O)OC(C)(C)C
InChIInChI=1S/C16H29NO3/c1-7-11(2)14(18)13-10-8-9-12(3)17(13)15(19)20-16(4,5)6/h11-13H,7-10H2,1-6H3/t11?,12-,13+/m1/s1
InChIKeyHGIKLDLPXUMXSO-HDYSRYHKSA-N
MW283.41 g/mol
LogP3.78
Rot. Bonds3

About tert-butyl (2R,6S)-2-methyl-6-(2-methylbutanoyl)piperidine-1-carboxylate

tert-butyl (2R,6S)-2-methyl-6-(2-methylbutanoyl)piperidine-1-carboxylate (PubChem CID 18718006) has the molecular formula C16H29NO3 and a molecular weight of 283.41 g/mol. Its IUPAC name is tert-butyl (2R,6S)-2-methyl-6-(2-methylbutanoyl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2R,6S)-2-methyl-6-(2-methylbutanoyl)piperidine-1-carboxylate
PubChem CID18718006
Molecular FormulaC16H29NO3
Molecular Weight283.41 g/mol
Exact Mass283.21
IUPAC Nametert-butyl (2R,6S)-2-methyl-6-(2-methylbutanoyl)piperidine-1-carboxylate
SMILESCCC(C)C(=O)[C@@H]1CCC[C@@H](C)N1C(=O)OC(C)(C)C
InChIInChI=1S/C16H29NO3/c1-7-11(2)14(18)13-10-8-9-12(3)17(13)15(19)20-16(4,5)6/h11-13H,7-10H2,1-6H3/t11?,12-,13+/m1/s1
InChIKeyHGIKLDLPXUMXSO-HDYSRYHKSA-N
XLogP3.78
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.41
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R,6S)-2-methyl-6-(2-methylbutanoyl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl (2R,6S)-2-methyl-6-(2-methylbutanoyl)piperidine-1-carboxylate (CID 18718006) is tert-butyl (2R,6S)-2-methyl-6-(2-methylbutanoyl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2R,6S)-2-methyl-6-(2-methylbutanoyl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl (2R,6S)-2-methyl-6-(2-methylbutanoyl)piperidine-1-carboxylate is CCC(C)C(=O)[C@@H]1CCC[C@@H](C)N1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (2R,6S)-2-methyl-6-(2-methylbutanoyl)piperidine-1-carboxylate?
The InChIKey is HGIKLDLPXUMXSO-HDYSRYHKSA-N. The full InChI is InChI=1S/C16H29NO3/c1-7-11(2)14(18)13-10-8-9-12(3)17(13)15(19)20-16(4,5)6/h11-13H,7-10H2,1-6H3/t11?,12-,13+/m1/s1.
What are the key properties of tert-butyl (2R,6S)-2-methyl-6-(2-methylbutanoyl)piperidine-1-carboxylate?
tert-butyl (2R,6S)-2-methyl-6-(2-methylbutanoyl)piperidine-1-carboxylate has a molecular weight of 283.41 g/mol, XLogP of 3.78, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R,6S)-2-methyl-6-(2-methylbutanoyl)piperidine-1-carboxylate is sourced from PubChem (CID 18718006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).