tert-butyl (2R)-2,4-di(propan-2-yl)piperazine-1-carboxylate

C15H30N2O2 — CID 168850650

IUPACtert-butyl (2R)-2,4-di(propan-2-yl)piperazine-1-carboxylate
SMILESCC(C)[C@@H]1CN(C(C)C)CCN1C(=O)OC(C)(C)C
InChIInChI=1S/C15H30N2O2/c1-11(2)13-10-16(12(3)4)8-9-17(13)14(18)19-15(5,6)7/h11-13H,8-10H2,1-7H3/t13-/m0/s1
InChIKeyPEACFXMKBMXPRL-ZDUSSCGKSA-N
MW270.42 g/mol
LogP2.97
Rot. Bonds2

About tert-butyl (2R)-2,4-di(propan-2-yl)piperazine-1-carboxylate

tert-butyl (2R)-2,4-di(propan-2-yl)piperazine-1-carboxylate (PubChem CID 168850650) has the molecular formula C15H30N2O2 and a molecular weight of 270.42 g/mol. Its IUPAC name is tert-butyl (2R)-2,4-di(propan-2-yl)piperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2R)-2,4-di(propan-2-yl)piperazine-1-carboxylate
PubChem CID168850650
Molecular FormulaC15H30N2O2
Molecular Weight270.42 g/mol
Exact Mass270.23
IUPAC Nametert-butyl (2R)-2,4-di(propan-2-yl)piperazine-1-carboxylate
SMILESCC(C)[C@@H]1CN(C(C)C)CCN1C(=O)OC(C)(C)C
InChIInChI=1S/C15H30N2O2/c1-11(2)13-10-16(12(3)4)8-9-17(13)14(18)19-15(5,6)7/h11-13H,8-10H2,1-7H3/t13-/m0/s1
InChIKeyPEACFXMKBMXPRL-ZDUSSCGKSA-N
XLogP2.97
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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tert-butyl (2S)-4-benzyl-2-propan-2-ylpiperazine-1-carboxylate
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tert-butyl 4-[(2S)-2-methyl-4-propan-2-ylpiperazine-1-carbonyl]piperidine-1-carboxylate
CID 68817055
tert-butyl (2R)-2-[(1S)-1-hydroxyethyl]pyrrolidine-1-carboxylate
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CID 155722577
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tert-butyl (2S)-2-[(1S)-1-hydroxyethyl]piperidine-1-carboxylate
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2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-2-yl]propanoic acid
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CID 22609586
(2R,5S)-4-[(2-methylpropan-2-yl)oxycarbonyl]-5-propan-2-ylmorpholine-2-carboxylic acid
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3-(1,1,1,3,3,3-hexafluoropropan-2-yl)-4-[(2-methylpropan-2-yl)oxycarbonyl]piperazine-1-carboxylic acid
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Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R)-2,4-di(propan-2-yl)piperazine-1-carboxylate?
The IUPAC name of tert-butyl (2R)-2,4-di(propan-2-yl)piperazine-1-carboxylate (CID 168850650) is tert-butyl (2R)-2,4-di(propan-2-yl)piperazine-1-carboxylate.
What is the SMILES notation for tert-butyl (2R)-2,4-di(propan-2-yl)piperazine-1-carboxylate?
The canonical SMILES for tert-butyl (2R)-2,4-di(propan-2-yl)piperazine-1-carboxylate is CC(C)[C@@H]1CN(C(C)C)CCN1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (2R)-2,4-di(propan-2-yl)piperazine-1-carboxylate?
The InChIKey is PEACFXMKBMXPRL-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H30N2O2/c1-11(2)13-10-16(12(3)4)8-9-17(13)14(18)19-15(5,6)7/h11-13H,8-10H2,1-7H3/t13-/m0/s1.
What are the key properties of tert-butyl (2R)-2,4-di(propan-2-yl)piperazine-1-carboxylate?
tert-butyl (2R)-2,4-di(propan-2-yl)piperazine-1-carboxylate has a molecular weight of 270.42 g/mol, XLogP of 2.97, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R)-2,4-di(propan-2-yl)piperazine-1-carboxylate is sourced from PubChem (CID 168850650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).