tert-butyl 4-(1-hydroxy-6,7-dihydro-2H-purin-3-yl)piperazine-1-carboxylate

C14H24N6O3 — CID 70153915

IUPACtert-butyl 4-(1-hydroxy-6,7-dihydro-2H-purin-3-yl)piperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN(N2CN(O)Cc3[nH]cnc32)CC1
InChIInChI=1S/C14H24N6O3/c1-14(2,3)23-13(21)17-4-6-18(7-5-17)20-10-19(22)8-11-12(20)16-9-15-11/h9,22H,4-8,10H2,1-3H3,(H,15,16)
InChIKeyXQXPUUIABYJLIN-UHFFFAOYSA-N
MW324.38 g/mol
LogP0.85
Rot. Bonds1

About tert-butyl 4-(1-hydroxy-6,7-dihydro-2H-purin-3-yl)piperazine-1-carboxylate

tert-butyl 4-(1-hydroxy-6,7-dihydro-2H-purin-3-yl)piperazine-1-carboxylate (PubChem CID 70153915) has the molecular formula C14H24N6O3 and a molecular weight of 324.38 g/mol. Its IUPAC name is tert-butyl 4-(1-hydroxy-6,7-dihydro-2H-purin-3-yl)piperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(1-hydroxy-6,7-dihydro-2H-purin-3-yl)piperazine-1-carboxylate
PubChem CID70153915
Molecular FormulaC14H24N6O3
Molecular Weight324.38 g/mol
Exact Mass324.19
IUPAC Nametert-butyl 4-(1-hydroxy-6,7-dihydro-2H-purin-3-yl)piperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN(N2CN(O)Cc3[nH]cnc32)CC1
InChIInChI=1S/C14H24N6O3/c1-14(2,3)23-13(21)17-4-6-18(7-5-17)20-10-19(22)8-11-12(20)16-9-15-11/h9,22H,4-8,10H2,1-3H3,(H,15,16)
InChIKeyXQXPUUIABYJLIN-UHFFFAOYSA-N
XLogP0.85
TPSA88.17 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze tert-butyl 4-(1-hydroxy-6,7-dihydro-2H-purin-3-yl)piperazine-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

Related Compounds

tert-butyl 4-oxo-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-6-carboxylate
CID 135638419
3-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]pyrazine-2-carboxylic acid
CID 169205005
tert-butyl 4-(5-bromo-2-oxo-1H-pyrazin-3-yl)piperazine-1-carboxylate
CID 146251961
tert-butyl 3-[(8-oxo-7H-pyrimido[5,4-d]pyrimidin-2-yl)amino]pyrrolidine-1-carboxylate
CID 156505213
tert-butyl 5-amino-3,6-dihydro-2H-pyridine-1-carboxylate
CID 146855386
trifluoromethyl 3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate
CID 142926418
tert-butyl 4-(pyrimidin-2-ylamino)piperidine-1-carboxylate
CID 2763949
tert-butyl 4-(3H-benzimidazol-5-ylamino)piperidine-1-carboxylate
CID 22100837
ditert-butyl 6-methylidene-1,4-diazepane-1,4-dicarboxylate
CID 71305475
tert-butyl 4-oxopiperidine-1-carboxylate;methane
CID 156835039
tert-butyl 3,5-dioxopiperidine-1-carboxylate;hydrochloride
CID 170354095
tert-butyl 4-(2-oxo-1H-pyrimidin-5-yl)piperidine-1-carboxylate
CID 164662482

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(1-hydroxy-6,7-dihydro-2H-purin-3-yl)piperazine-1-carboxylate?
The IUPAC name of tert-butyl 4-(1-hydroxy-6,7-dihydro-2H-purin-3-yl)piperazine-1-carboxylate (CID 70153915) is tert-butyl 4-(1-hydroxy-6,7-dihydro-2H-purin-3-yl)piperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(1-hydroxy-6,7-dihydro-2H-purin-3-yl)piperazine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(1-hydroxy-6,7-dihydro-2H-purin-3-yl)piperazine-1-carboxylate is CC(C)(C)OC(=O)N1CCN(N2CN(O)Cc3[nH]cnc32)CC1.
What is the InChIKey of tert-butyl 4-(1-hydroxy-6,7-dihydro-2H-purin-3-yl)piperazine-1-carboxylate?
The InChIKey is XQXPUUIABYJLIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N6O3/c1-14(2,3)23-13(21)17-4-6-18(7-5-17)20-10-19(22)8-11-12(20)16-9-15-11/h9,22H,4-8,10H2,1-3H3,(H,15,16).
What are the key properties of tert-butyl 4-(1-hydroxy-6,7-dihydro-2H-purin-3-yl)piperazine-1-carboxylate?
tert-butyl 4-(1-hydroxy-6,7-dihydro-2H-purin-3-yl)piperazine-1-carboxylate has a molecular weight of 324.38 g/mol, XLogP of 0.85, 1 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(1-hydroxy-6,7-dihydro-2H-purin-3-yl)piperazine-1-carboxylate is sourced from PubChem (CID 70153915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).