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

C12H25N3O3 — CID 2756369

IUPACtert-butyl 4-(3-amino-2-hydroxypropyl)piperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN(CC(O)CN)CC1
InChIInChI=1S/C12H25N3O3/c1-12(2,3)18-11(17)15-6-4-14(5-7-15)9-10(16)8-13/h10,16H,4-9,13H2,1-3H3
InChIKeyDNMYILASPHUVFX-UHFFFAOYSA-N
MW259.35 g/mol
LogP-0.14
Rot. Bonds3

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

tert-butyl 4-(3-amino-2-hydroxypropyl)piperazine-1-carboxylate (PubChem CID 2756369) has the molecular formula C12H25N3O3 and a molecular weight of 259.35 g/mol. Its IUPAC name is tert-butyl 4-(3-amino-2-hydroxypropyl)piperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(3-amino-2-hydroxypropyl)piperazine-1-carboxylate
PubChem CID2756369
Molecular FormulaC12H25N3O3
Molecular Weight259.35 g/mol
Exact Mass259.19
IUPAC Nametert-butyl 4-(3-amino-2-hydroxypropyl)piperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN(CC(O)CN)CC1
InChIInChI=1S/C12H25N3O3/c1-12(2,3)18-11(17)15-6-4-14(5-7-15)9-10(16)8-13/h10,16H,4-9,13H2,1-3H3
InChIKeyDNMYILASPHUVFX-UHFFFAOYSA-N
XLogP-0.14
TPSA79.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 5-0.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(3-amino-2-hydroxypropyl)piperazine-1-carboxylate?
The IUPAC name of tert-butyl 4-(3-amino-2-hydroxypropyl)piperazine-1-carboxylate (CID 2756369) is tert-butyl 4-(3-amino-2-hydroxypropyl)piperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(3-amino-2-hydroxypropyl)piperazine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(3-amino-2-hydroxypropyl)piperazine-1-carboxylate is CC(C)(C)OC(=O)N1CCN(CC(O)CN)CC1.
What is the InChIKey of tert-butyl 4-(3-amino-2-hydroxypropyl)piperazine-1-carboxylate?
The InChIKey is DNMYILASPHUVFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O3/c1-12(2,3)18-11(17)15-6-4-14(5-7-15)9-10(16)8-13/h10,16H,4-9,13H2,1-3H3.
What are the key properties of tert-butyl 4-(3-amino-2-hydroxypropyl)piperazine-1-carboxylate?
tert-butyl 4-(3-amino-2-hydroxypropyl)piperazine-1-carboxylate has a molecular weight of 259.35 g/mol, XLogP of -0.14, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(3-amino-2-hydroxypropyl)piperazine-1-carboxylate is sourced from PubChem (CID 2756369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).