tert-butyl 4-(4-amino-2-hydroxybutyl)piperazine-1-carboxylate

C13H27N3O3 — CID 82276947

IUPACtert-butyl 4-(4-amino-2-hydroxybutyl)piperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN(CC(O)CCN)CC1
InChIInChI=1S/C13H27N3O3/c1-13(2,3)19-12(18)16-8-6-15(7-9-16)10-11(17)4-5-14/h11,17H,4-10,14H2,1-3H3
InChIKeyMFLKPTMIXVJXAP-UHFFFAOYSA-N
MW273.38 g/mol
LogP0.25
Rot. Bonds4

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

tert-butyl 4-(4-amino-2-hydroxybutyl)piperazine-1-carboxylate (PubChem CID 82276947) has the molecular formula C13H27N3O3 and a molecular weight of 273.38 g/mol. Its IUPAC name is tert-butyl 4-(4-amino-2-hydroxybutyl)piperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(4-amino-2-hydroxybutyl)piperazine-1-carboxylate
PubChem CID82276947
Molecular FormulaC13H27N3O3
Molecular Weight273.38 g/mol
Exact Mass273.21
IUPAC Nametert-butyl 4-(4-amino-2-hydroxybutyl)piperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN(CC(O)CCN)CC1
InChIInChI=1S/C13H27N3O3/c1-13(2,3)19-12(18)16-8-6-15(7-9-16)10-11(17)4-5-14/h11,17H,4-10,14H2,1-3H3
InChIKeyMFLKPTMIXVJXAP-UHFFFAOYSA-N
XLogP0.25
TPSA79.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl 4-[(2S)-2-hydroxybutyl]piperazine-1-carboxylate
CID 124576249
tert-butyl 4-[(2R)-3-chloro-2-hydroxypropyl]piperazine-1-carboxylate
CID 66954028
tert-butyl 4-[(2S)-2-hydroxy-3-morpholin-4-ylpropyl]piperazine-1-carboxylate
CID 95635851
tert-butyl 4-(3-amino-2-methylpropyl)piperazine-1-carboxylate
CID 43251933
tert-butyl 4-(2-aminopropyl)piperazine-1-carboxylate
CID 53350324
tert-butyl 4-(2-aminoethyl)piperazine-1-carboxylate;hydrochloride
CID 134159111
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-(3-amino-2-methylpropyl)-1,4-diazepane-1-carboxylate
CID 43252008
tert-butyl 4-[2-methyl-4-(methylamino)butyl]piperazine-1-carboxylate
CID 166459047
tert-butyl 4-[2-hydroxy-3-(1-methoxypropan-2-yloxy)propyl]piperazine-1-carboxylate
CID 106992256
tert-butyl 4-(6-aminohexyl)piperazine-1-carboxylate
CID 171785165

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(4-amino-2-hydroxybutyl)piperazine-1-carboxylate?
The IUPAC name of tert-butyl 4-(4-amino-2-hydroxybutyl)piperazine-1-carboxylate (CID 82276947) is tert-butyl 4-(4-amino-2-hydroxybutyl)piperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(4-amino-2-hydroxybutyl)piperazine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(4-amino-2-hydroxybutyl)piperazine-1-carboxylate is CC(C)(C)OC(=O)N1CCN(CC(O)CCN)CC1.
What is the InChIKey of tert-butyl 4-(4-amino-2-hydroxybutyl)piperazine-1-carboxylate?
The InChIKey is MFLKPTMIXVJXAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O3/c1-13(2,3)19-12(18)16-8-6-15(7-9-16)10-11(17)4-5-14/h11,17H,4-10,14H2,1-3H3.
What are the key properties of tert-butyl 4-(4-amino-2-hydroxybutyl)piperazine-1-carboxylate?
tert-butyl 4-(4-amino-2-hydroxybutyl)piperazine-1-carboxylate has a molecular weight of 273.38 g/mol, XLogP of 0.25, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(4-amino-2-hydroxybutyl)piperazine-1-carboxylate is sourced from PubChem (CID 82276947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).