tert-butyl 4-(3-amino-2-methylpropyl)piperazine-1-carboxylate

C13H27N3O2 — CID 43251933

IUPACtert-butyl 4-(3-amino-2-methylpropyl)piperazine-1-carboxylate
SMILESCC(CN)CN1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C13H27N3O2/c1-11(9-14)10-15-5-7-16(8-6-15)12(17)18-13(2,3)4/h11H,5-10,14H2,1-4H3
InChIKeyAILUKBBZQBDNGC-UHFFFAOYSA-N
MW257.38 g/mol
LogP1.13
Rot. Bonds3

About tert-butyl 4-(3-amino-2-methylpropyl)piperazine-1-carboxylate

tert-butyl 4-(3-amino-2-methylpropyl)piperazine-1-carboxylate (PubChem CID 43251933) has the molecular formula C13H27N3O2 and a molecular weight of 257.38 g/mol. Its IUPAC name is tert-butyl 4-(3-amino-2-methylpropyl)piperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(3-amino-2-methylpropyl)piperazine-1-carboxylate
PubChem CID43251933
Molecular FormulaC13H27N3O2
Molecular Weight257.38 g/mol
Exact Mass257.21
IUPAC Nametert-butyl 4-(3-amino-2-methylpropyl)piperazine-1-carboxylate
SMILESCC(CN)CN1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C13H27N3O2/c1-11(9-14)10-15-5-7-16(8-6-15)12(17)18-13(2,3)4/h11H,5-10,14H2,1-4H3
InChIKeyAILUKBBZQBDNGC-UHFFFAOYSA-N
XLogP1.13
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 4-(3-amino-2-methylpropyl)-1,4-diazepane-1-carboxylate
CID 43252008
tert-butyl 4-(2-aminopropyl)piperazine-1-carboxylate
CID 53350324
2-methylpropyl 4-(3-amino-2-methylpropyl)piperazine-1-carboxylate
CID 43252434
tert-butyl 4-[(2S)-3-methoxy-2-methyl-3-oxopropyl]piperazine-1-carboxylate
CID 25418682
tert-butyl 4-(3-ethoxy-2-methyl-3-oxopropyl)piperazine-1-carboxylate
CID 68759858
tert-butyl 4-[2-methyl-4-(methylamino)butyl]piperazine-1-carboxylate
CID 166459047
tert-butyl 4-(4-amino-2-hydroxybutyl)piperazine-1-carboxylate
CID 82276947
tert-butyl 4-(3-amino-2-ethoxypropyl)-1,4-diazepane-1-carboxylate
CID 114518350
tert-butyl 4-[(2S)-2-hydroxybutyl]piperazine-1-carboxylate
CID 124576249
tert-butyl 4-(2-aminoethyl)piperazine-1-carboxylate;hydrochloride
CID 134159111
tert-butyl 4-[N'-[3-(4-ethylpiperazin-1-yl)-2-methylpropyl]carbamimidoyl]piperazine-1-carboxylate;hydroiodide
CID 111070477
tert-butyl 4-[(2R)-3-chloro-2-hydroxypropyl]piperazine-1-carboxylate
CID 66954028

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(3-amino-2-methylpropyl)piperazine-1-carboxylate?
The IUPAC name of tert-butyl 4-(3-amino-2-methylpropyl)piperazine-1-carboxylate (CID 43251933) is tert-butyl 4-(3-amino-2-methylpropyl)piperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(3-amino-2-methylpropyl)piperazine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(3-amino-2-methylpropyl)piperazine-1-carboxylate is CC(CN)CN1CCN(C(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl 4-(3-amino-2-methylpropyl)piperazine-1-carboxylate?
The InChIKey is AILUKBBZQBDNGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O2/c1-11(9-14)10-15-5-7-16(8-6-15)12(17)18-13(2,3)4/h11H,5-10,14H2,1-4H3.
What are the key properties of tert-butyl 4-(3-amino-2-methylpropyl)piperazine-1-carboxylate?
tert-butyl 4-(3-amino-2-methylpropyl)piperazine-1-carboxylate has a molecular weight of 257.38 g/mol, XLogP of 1.13, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(3-amino-2-methylpropyl)piperazine-1-carboxylate is sourced from PubChem (CID 43251933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).