tert-butyl (2R)-2-methyl-4-[[(2R)-oxolan-2-yl]methyl]piperazine-1-carboxylate

C15H28N2O3 — CID 124621241

IUPACtert-butyl (2R)-2-methyl-4-[[(2R)-oxolan-2-yl]methyl]piperazine-1-carboxylate
SMILESC[C@@H]1CN(C[C@H]2CCCO2)CCN1C(=O)OC(C)(C)C
InChIInChI=1S/C15H28N2O3/c1-12-10-16(11-13-6-5-9-19-13)7-8-17(12)14(18)20-15(2,3)4/h12-13H,5-11H2,1-4H3/t12-,13-/m1/s1
InChIKeyLZEBEKALFRJCCM-CHWSQXEVSA-N
MW284.40 g/mol
LogP2.11
Rot. Bonds2

About tert-butyl (2R)-2-methyl-4-[[(2R)-oxolan-2-yl]methyl]piperazine-1-carboxylate

tert-butyl (2R)-2-methyl-4-[[(2R)-oxolan-2-yl]methyl]piperazine-1-carboxylate (PubChem CID 124621241) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is tert-butyl (2R)-2-methyl-4-[[(2R)-oxolan-2-yl]methyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2R)-2-methyl-4-[[(2R)-oxolan-2-yl]methyl]piperazine-1-carboxylate
PubChem CID124621241
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC Nametert-butyl (2R)-2-methyl-4-[[(2R)-oxolan-2-yl]methyl]piperazine-1-carboxylate
SMILESC[C@@H]1CN(C[C@H]2CCCO2)CCN1C(=O)OC(C)(C)C
InChIInChI=1S/C15H28N2O3/c1-12-10-16(11-13-6-5-9-19-13)7-8-17(12)14(18)20-15(2,3)4/h12-13H,5-11H2,1-4H3/t12-,13-/m1/s1
InChIKeyLZEBEKALFRJCCM-CHWSQXEVSA-N
XLogP2.11
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl (2S)-2-methyl-4-[[(2R)-oxolan-2-yl]methyl]piperazine-1-carboxylate
CID 124734212
tert-butyl (2R)-2-methyl-4-[2-[(2S)-2-methylmorpholin-4-yl]-2-oxoethyl]piperazine-1-carboxylate
CID 98768098
tert-butyl (2R)-4-(3-hydroxypropyl)-2-methylpiperazine-1-carboxylate
CID 95777078
tert-butyl 2-[[[(2R)-oxolan-2-yl]methylamino]methyl]azetidine-1-carboxylate
CID 138014225
tert-butyl N-[(1S)-1-[(3R)-1-[[(2S)-oxan-2-yl]methyl]piperidin-3-yl]ethyl]carbamate
CID 97224551
tert-butyl 6-(oxolan-2-ylmethylamino)-3-azabicyclo[3.1.0]hexane-3-carboxylate
CID 107238502
tert-butyl (2R)-4-(3-ethoxy-3-oxopropyl)-2-methylpiperazine-1-carboxylate
CID 130211602
tert-butyl (2S)-2-[[(2S)-oxolan-2-yl]methylcarbamoyl]pyrrolidine-1-carboxylate
CID 94913786
1-[4-(oxolan-2-ylmethyl)piperazin-1-yl]ethanone
CID 23402911
tert-butyl 4-methanidyl-2-methylpiperazine-1-carboxylate
CID 59347490
tert-butyl (2S)-2-methyl-4-[(2R)-4,4,4-trifluoro-2-hydroxybutyl]piperazine-1-carboxylate
CID 124861141
1-tert-butyl-3-[(3R,4S)-3-methyl-1-[[(2R)-oxolan-2-yl]methyl]piperidin-4-yl]urea
CID 124840714

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R)-2-methyl-4-[[(2R)-oxolan-2-yl]methyl]piperazine-1-carboxylate?
The IUPAC name of tert-butyl (2R)-2-methyl-4-[[(2R)-oxolan-2-yl]methyl]piperazine-1-carboxylate (CID 124621241) is tert-butyl (2R)-2-methyl-4-[[(2R)-oxolan-2-yl]methyl]piperazine-1-carboxylate.
What is the SMILES notation for tert-butyl (2R)-2-methyl-4-[[(2R)-oxolan-2-yl]methyl]piperazine-1-carboxylate?
The canonical SMILES for tert-butyl (2R)-2-methyl-4-[[(2R)-oxolan-2-yl]methyl]piperazine-1-carboxylate is C[C@@H]1CN(C[C@H]2CCCO2)CCN1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (2R)-2-methyl-4-[[(2R)-oxolan-2-yl]methyl]piperazine-1-carboxylate?
The InChIKey is LZEBEKALFRJCCM-CHWSQXEVSA-N. The full InChI is InChI=1S/C15H28N2O3/c1-12-10-16(11-13-6-5-9-19-13)7-8-17(12)14(18)20-15(2,3)4/h12-13H,5-11H2,1-4H3/t12-,13-/m1/s1.
What are the key properties of tert-butyl (2R)-2-methyl-4-[[(2R)-oxolan-2-yl]methyl]piperazine-1-carboxylate?
tert-butyl (2R)-2-methyl-4-[[(2R)-oxolan-2-yl]methyl]piperazine-1-carboxylate has a molecular weight of 284.40 g/mol, XLogP of 2.11, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R)-2-methyl-4-[[(2R)-oxolan-2-yl]methyl]piperazine-1-carboxylate is sourced from PubChem (CID 124621241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).