tert-butyl (2R,4S)-1-ethyl-4-methyl-2-propan-2-ylpiperidine-4-carboxylate

C16H31NO2 — CID 177325176

IUPACtert-butyl (2R,4S)-1-ethyl-4-methyl-2-propan-2-ylpiperidine-4-carboxylate
SMILESCCN1CC[C@](C)(C(=O)OC(C)(C)C)C[C@@H]1C(C)C
InChIInChI=1S/C16H31NO2/c1-8-17-10-9-16(7,11-13(17)12(2)3)14(18)19-15(4,5)6/h12-13H,8-11H2,1-7H3/t13-,16+/m1/s1
InChIKeyHQDQXAIRMFPSLZ-CJNGLKHVSA-N
MW269.43 g/mol
LogP3.47
Rot. Bonds3

About tert-butyl (2R,4S)-1-ethyl-4-methyl-2-propan-2-ylpiperidine-4-carboxylate

tert-butyl (2R,4S)-1-ethyl-4-methyl-2-propan-2-ylpiperidine-4-carboxylate (PubChem CID 177325176) has the molecular formula C16H31NO2 and a molecular weight of 269.43 g/mol. Its IUPAC name is tert-butyl (2R,4S)-1-ethyl-4-methyl-2-propan-2-ylpiperidine-4-carboxylate.

Molecular Properties

Compound Nametert-butyl (2R,4S)-1-ethyl-4-methyl-2-propan-2-ylpiperidine-4-carboxylate
PubChem CID177325176
Molecular FormulaC16H31NO2
Molecular Weight269.43 g/mol
Exact Mass269.24
IUPAC Nametert-butyl (2R,4S)-1-ethyl-4-methyl-2-propan-2-ylpiperidine-4-carboxylate
SMILESCCN1CC[C@](C)(C(=O)OC(C)(C)C)C[C@@H]1C(C)C
InChIInChI=1S/C16H31NO2/c1-8-17-10-9-16(7,11-13(17)12(2)3)14(18)19-15(4,5)6/h12-13H,8-11H2,1-7H3/t13-,16+/m1/s1
InChIKeyHQDQXAIRMFPSLZ-CJNGLKHVSA-N
XLogP3.47
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R,4S)-1-ethyl-4-methyl-2-propan-2-ylpiperidine-4-carboxylate?
The IUPAC name of tert-butyl (2R,4S)-1-ethyl-4-methyl-2-propan-2-ylpiperidine-4-carboxylate (CID 177325176) is tert-butyl (2R,4S)-1-ethyl-4-methyl-2-propan-2-ylpiperidine-4-carboxylate.
What is the SMILES notation for tert-butyl (2R,4S)-1-ethyl-4-methyl-2-propan-2-ylpiperidine-4-carboxylate?
The canonical SMILES for tert-butyl (2R,4S)-1-ethyl-4-methyl-2-propan-2-ylpiperidine-4-carboxylate is CCN1CC[C@](C)(C(=O)OC(C)(C)C)C[C@@H]1C(C)C.
What is the InChIKey of tert-butyl (2R,4S)-1-ethyl-4-methyl-2-propan-2-ylpiperidine-4-carboxylate?
The InChIKey is HQDQXAIRMFPSLZ-CJNGLKHVSA-N. The full InChI is InChI=1S/C16H31NO2/c1-8-17-10-9-16(7,11-13(17)12(2)3)14(18)19-15(4,5)6/h12-13H,8-11H2,1-7H3/t13-,16+/m1/s1.
What are the key properties of tert-butyl (2R,4S)-1-ethyl-4-methyl-2-propan-2-ylpiperidine-4-carboxylate?
tert-butyl (2R,4S)-1-ethyl-4-methyl-2-propan-2-ylpiperidine-4-carboxylate has a molecular weight of 269.43 g/mol, XLogP of 3.47, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R,4S)-1-ethyl-4-methyl-2-propan-2-ylpiperidine-4-carboxylate is sourced from PubChem (CID 177325176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).