[(2S)-piperazin-2-yl] N-tert-butylcarbamate

C9H19N3O2 — CID 70136446

IUPAC[(2S)-piperazin-2-yl] N-tert-butylcarbamate
SMILESCC(C)(C)NC(=O)O[C@H]1CNCCN1
InChIInChI=1S/C9H19N3O2/c1-9(2,3)12-8(13)14-7-6-10-4-5-11-7/h7,10-11H,4-6H2,1-3H3,(H,12,13)/t7-/m0/s1
InChIKeyHMYSMPXPGIFMNN-ZETCQYMHSA-N
MW201.27 g/mol
LogP0.03
Rot. Bonds1

About [(2S)-piperazin-2-yl] N-tert-butylcarbamate

[(2S)-piperazin-2-yl] N-tert-butylcarbamate (PubChem CID 70136446) has the molecular formula C9H19N3O2 and a molecular weight of 201.27 g/mol. Its IUPAC name is [(2S)-piperazin-2-yl] N-tert-butylcarbamate.

Molecular Properties

Compound Name[(2S)-piperazin-2-yl] N-tert-butylcarbamate
PubChem CID70136446
Molecular FormulaC9H19N3O2
Molecular Weight201.27 g/mol
Exact Mass201.15
IUPAC Name[(2S)-piperazin-2-yl] N-tert-butylcarbamate
SMILESCC(C)(C)NC(=O)O[C@H]1CNCCN1
InChIInChI=1S/C9H19N3O2/c1-9(2,3)12-8(13)14-7-6-10-4-5-11-7/h7,10-11H,4-6H2,1-3H3,(H,12,13)/t7-/m0/s1
InChIKeyHMYSMPXPGIFMNN-ZETCQYMHSA-N
XLogP0.03
TPSA62.39 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 50.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

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[(2S)-azetidin-2-yl]methyl N-tert-butylcarbamate
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[(4R)-1-methyldiazinan-4-yl] N-tert-butylcarbamate
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(2S)-N-tert-butyl-2-methylpiperazine-1-carboxamide
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[(2E)-4-(tert-butylcarbamoyloxy)-6,7-dihydroxycyclooct-2-en-1-yl] N-tert-butylcarbamate
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N-(3-methylpentan-3-yl)piperazine-2-carboxamide
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tert-butylcarbamic acid;piperazine
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2-[2-(2-piperazin-2-ylpropan-2-yloxy)propan-2-yl]piperazine
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CID 90924867

Frequently Asked Questions

What is the IUPAC name of [(2S)-piperazin-2-yl] N-tert-butylcarbamate?
The IUPAC name of [(2S)-piperazin-2-yl] N-tert-butylcarbamate (CID 70136446) is [(2S)-piperazin-2-yl] N-tert-butylcarbamate.
What is the SMILES notation for [(2S)-piperazin-2-yl] N-tert-butylcarbamate?
The canonical SMILES for [(2S)-piperazin-2-yl] N-tert-butylcarbamate is CC(C)(C)NC(=O)O[C@H]1CNCCN1.
What is the InChIKey of [(2S)-piperazin-2-yl] N-tert-butylcarbamate?
The InChIKey is HMYSMPXPGIFMNN-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H19N3O2/c1-9(2,3)12-8(13)14-7-6-10-4-5-11-7/h7,10-11H,4-6H2,1-3H3,(H,12,13)/t7-/m0/s1.
What are the key properties of [(2S)-piperazin-2-yl] N-tert-butylcarbamate?
[(2S)-piperazin-2-yl] N-tert-butylcarbamate has a molecular weight of 201.27 g/mol, XLogP of 0.03, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-piperazin-2-yl] N-tert-butylcarbamate is sourced from PubChem (CID 70136446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).