tert-butyl N-[2-(4-methylpiperazin-2-yl)ethyl]carbamate

C12H25N3O2 — CID 82386141

IUPACtert-butyl N-[2-(4-methylpiperazin-2-yl)ethyl]carbamate
SMILESCN1CCNC(CCNC(=O)OC(C)(C)C)C1
InChIInChI=1S/C12H25N3O2/c1-12(2,3)17-11(16)14-6-5-10-9-15(4)8-7-13-10/h10,13H,5-9H2,1-4H3,(H,14,16)
InChIKeyIGCDPEVZNQWQQB-UHFFFAOYSA-N
MW243.35 g/mol
LogP0.80
Rot. Bonds3

About tert-butyl N-[2-(4-methylpiperazin-2-yl)ethyl]carbamate

tert-butyl N-[2-(4-methylpiperazin-2-yl)ethyl]carbamate (PubChem CID 82386141) has the molecular formula C12H25N3O2 and a molecular weight of 243.35 g/mol. Its IUPAC name is tert-butyl N-[2-(4-methylpiperazin-2-yl)ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(4-methylpiperazin-2-yl)ethyl]carbamate
PubChem CID82386141
Molecular FormulaC12H25N3O2
Molecular Weight243.35 g/mol
Exact Mass243.19
IUPAC Nametert-butyl N-[2-(4-methylpiperazin-2-yl)ethyl]carbamate
SMILESCN1CCNC(CCNC(=O)OC(C)(C)C)C1
InChIInChI=1S/C12H25N3O2/c1-12(2,3)17-11(16)14-6-5-10-9-15(4)8-7-13-10/h10,13H,5-9H2,1-4H3,(H,14,16)
InChIKeyIGCDPEVZNQWQQB-UHFFFAOYSA-N
XLogP0.80
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze tert-butyl N-[2-(4-methylpiperazin-2-yl)ethyl]carbamate with MolForge

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

Launch Full Analysis

Related Compounds

tert-butyl N-(2-thiomorpholin-3-ylethyl)carbamate
CID 82384209
tert-butyl 3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]piperazine-1-carboxylate
CID 139034686
N-(2-cyclohexylethyl)-2-(4-methylpiperazin-2-yl)acetamide
CID 115178336
N-(3,3-dimethylbutyl)-2-(4-methylpiperazin-2-yl)acetamide
CID 115178327
3-(3,3-dimethylbutyl)-1-methylpiperazine
CID 116928268
2-(4-methylpiperazin-2-yl)-N-[2-(oxan-4-yl)ethyl]acetamide
CID 115178337
tert-butyl N-[2-[[N'-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]carbamimidoyl]amino]ethyl]carbamate
CID 111884169
tert-butyl N-[2-(azetidin-3-ylamino)ethyl]carbamate
CID 107241432
tert-butyl N-(3,3-dihydroxypropyl)carbamate
CID 89159940
tert-butyl N-[3-[[N'-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]carbamimidoyl]amino]propyl]carbamate
CID 111886361
tert-butyl N-[2-(1-azabicyclo[2.2.2]octan-3-yl)ethyl]carbamate
CID 83985971
butanedioic acid;tert-butyl N-(2-piperidin-4-ylethyl)carbamate
CID 19020689

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(4-methylpiperazin-2-yl)ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-(4-methylpiperazin-2-yl)ethyl]carbamate (CID 82386141) is tert-butyl N-[2-(4-methylpiperazin-2-yl)ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(4-methylpiperazin-2-yl)ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(4-methylpiperazin-2-yl)ethyl]carbamate is CN1CCNC(CCNC(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl N-[2-(4-methylpiperazin-2-yl)ethyl]carbamate?
The InChIKey is IGCDPEVZNQWQQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O2/c1-12(2,3)17-11(16)14-6-5-10-9-15(4)8-7-13-10/h10,13H,5-9H2,1-4H3,(H,14,16).
What are the key properties of tert-butyl N-[2-(4-methylpiperazin-2-yl)ethyl]carbamate?
tert-butyl N-[2-(4-methylpiperazin-2-yl)ethyl]carbamate has a molecular weight of 243.35 g/mol, XLogP of 0.80, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(4-methylpiperazin-2-yl)ethyl]carbamate is sourced from PubChem (CID 82386141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).