tert-butyl 4-(6-amino-3-pyridinyl)-3,3-dimethylpiperazine-1-carboxylate

C16H26N4O2 — CID 86683762

IUPACtert-butyl 4-(6-amino-3-pyridinyl)-3,3-dimethylpiperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN(c2ccc(N)nc2)C(C)(C)C1
InChIInChI=1S/C16H26N4O2/c1-15(2,3)22-14(21)19-8-9-20(16(4,5)11-19)12-6-7-13(17)18-10-12/h6-7,10H,8-9,11H2,1-5H3,(H2,17,18)
InChIKeyRWUWOEAMTDCUKM-UHFFFAOYSA-N
MW306.41 g/mol
LogP2.50
Rot. Bonds1

About tert-butyl 4-(6-amino-3-pyridinyl)-3,3-dimethylpiperazine-1-carboxylate

tert-butyl 4-(6-amino-3-pyridinyl)-3,3-dimethylpiperazine-1-carboxylate (PubChem CID 86683762) has the molecular formula C16H26N4O2 and a molecular weight of 306.41 g/mol. Its IUPAC name is tert-butyl 4-(6-amino-3-pyridinyl)-3,3-dimethylpiperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(6-amino-3-pyridinyl)-3,3-dimethylpiperazine-1-carboxylate
PubChem CID86683762
Molecular FormulaC16H26N4O2
Molecular Weight306.41 g/mol
Exact Mass306.21
IUPAC Nametert-butyl 4-(6-amino-3-pyridinyl)-3,3-dimethylpiperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN(c2ccc(N)nc2)C(C)(C)C1
InChIInChI=1S/C16H26N4O2/c1-15(2,3)22-14(21)19-8-9-20(16(4,5)11-19)12-6-7-13(17)18-10-12/h6-7,10H,8-9,11H2,1-5H3,(H2,17,18)
InChIKeyRWUWOEAMTDCUKM-UHFFFAOYSA-N
XLogP2.50
TPSA71.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Launch Full Analysis

Related Compounds

tert-butyl 8-(6-amino-3-pyridinyl)-2,8-diazaspiro[4.5]decane-2-carboxylate
CID 170040628
tert-butyl 4-(6-amino-3-pyridinyl)piperazine-1-carboxylate;tert-butyl 4-(6-nitro-3-pyridinyl)piperazine-1-carboxylate
CID 158946312
tert-butyl 4-(3-hydroxy-1-oxo-3H-2-benzofuran-5-yl)-3,3-dimethylpiperazine-1-carboxylate
CID 166077668
tert-butyl (2S,6R)-4-(6-amino-3-pyridinyl)-2,6-dimethylpiperazine-1-carboxylate
CID 168895169
tert-butyl 6-(6-amino-3-pyridinyl)-3,6-diazabicyclo[3.2.2]nonane-3-carboxylate
CID 123588083
tert-butyl 7-(6-amino-3-pyridinyl)-6-oxo-1,7-diazaspiro[4.4]nonane-1-carboxylate
CID 67354954
tert-butyl 4-[2-(6-amino-3-pyridinyl)ethynyl]piperidine-1-carboxylate
CID 169087118
1-[4-(6-amino-3-pyridinyl)piperazin-1-yl]-2-[(2-methylpropan-2-yl)oxy]ethanone
CID 115949166
tert-butyl 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrole-1-carboxylate;5-(4-methylpiperazin-1-yl)pyridin-2-amine
CID 175911590
tert-butyl 4-[(6-amino-3-pyridinyl)methoxy]piperidine-1-carboxylate
CID 141417890
tert-butyl 4-(6-pyrrolidin-1-yl-3-pyridinyl)-1,4-diazepane-1-carboxylate
CID 22478457
ditert-butyl 6-hydroxy-6-methyl-1,4-diazepane-1,4-dicarboxylate
CID 89456794

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(6-amino-3-pyridinyl)-3,3-dimethylpiperazine-1-carboxylate?
The IUPAC name of tert-butyl 4-(6-amino-3-pyridinyl)-3,3-dimethylpiperazine-1-carboxylate (CID 86683762) is tert-butyl 4-(6-amino-3-pyridinyl)-3,3-dimethylpiperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(6-amino-3-pyridinyl)-3,3-dimethylpiperazine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(6-amino-3-pyridinyl)-3,3-dimethylpiperazine-1-carboxylate is CC(C)(C)OC(=O)N1CCN(c2ccc(N)nc2)C(C)(C)C1.
What is the InChIKey of tert-butyl 4-(6-amino-3-pyridinyl)-3,3-dimethylpiperazine-1-carboxylate?
The InChIKey is RWUWOEAMTDCUKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O2/c1-15(2,3)22-14(21)19-8-9-20(16(4,5)11-19)12-6-7-13(17)18-10-12/h6-7,10H,8-9,11H2,1-5H3,(H2,17,18).
What are the key properties of tert-butyl 4-(6-amino-3-pyridinyl)-3,3-dimethylpiperazine-1-carboxylate?
tert-butyl 4-(6-amino-3-pyridinyl)-3,3-dimethylpiperazine-1-carboxylate has a molecular weight of 306.41 g/mol, XLogP of 2.50, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(6-amino-3-pyridinyl)-3,3-dimethylpiperazine-1-carboxylate is sourced from PubChem (CID 86683762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).