tert-butyl (2S)-2-methylpiperazine-1-carboxylate

C10H20N2O2 — CID 10081508

IUPACtert-butyl (2S)-2-methylpiperazine-1-carboxylate
SMILESC[C@H]1CNCCN1C(=O)OC(C)(C)C
InChIInChI=1S/C10H20N2O2/c1-8-7-11-5-6-12(8)9(13)14-10(2,3)4/h8,11H,5-7H2,1-4H3/t8-/m0/s1
InChIKeyDATRVIMZZZVHMP-QMMMGPOBSA-N
MW200.28 g/mol
LogP1.22
Rot. Bonds

About tert-butyl (2S)-2-methylpiperazine-1-carboxylate

tert-butyl (2S)-2-methylpiperazine-1-carboxylate (PubChem CID 10081508) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is tert-butyl (2S)-2-methylpiperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2S)-2-methylpiperazine-1-carboxylate
PubChem CID10081508
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC Nametert-butyl (2S)-2-methylpiperazine-1-carboxylate
SMILESC[C@H]1CNCCN1C(=O)OC(C)(C)C
InChIInChI=1S/C10H20N2O2/c1-8-7-11-5-6-12(8)9(13)14-10(2,3)4/h8,11H,5-7H2,1-4H3/t8-/m0/s1
InChIKeyDATRVIMZZZVHMP-QMMMGPOBSA-N
XLogP1.22
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze tert-butyl (2S)-2-methylpiperazine-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2S)-2-methylpiperazine-1-carboxylate?
The IUPAC name of tert-butyl (2S)-2-methylpiperazine-1-carboxylate (CID 10081508) is tert-butyl (2S)-2-methylpiperazine-1-carboxylate.
What is the SMILES notation for tert-butyl (2S)-2-methylpiperazine-1-carboxylate?
The canonical SMILES for tert-butyl (2S)-2-methylpiperazine-1-carboxylate is C[C@H]1CNCCN1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (2S)-2-methylpiperazine-1-carboxylate?
The InChIKey is DATRVIMZZZVHMP-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H20N2O2/c1-8-7-11-5-6-12(8)9(13)14-10(2,3)4/h8,11H,5-7H2,1-4H3/t8-/m0/s1.
What are the key properties of tert-butyl (2S)-2-methylpiperazine-1-carboxylate?
tert-butyl (2S)-2-methylpiperazine-1-carboxylate has a molecular weight of 200.28 g/mol, XLogP of 1.22, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2S)-2-methylpiperazine-1-carboxylate is sourced from PubChem (CID 10081508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).