[(2R)-4-(5-amino-6-methyl-2-pyridinyl)-2-methylpiperazin-1-yl] 2,2-dimethylpropanoate

C16H26N4O2 — CID 174591422

IUPAC[(2R)-4-(5-amino-6-methyl-2-pyridinyl)-2-methylpiperazin-1-yl] 2,2-dimethylpropanoate
SMILESCc1nc(N2CCN(OC(=O)C(C)(C)C)[C@H](C)C2)ccc1N
InChIInChI=1S/C16H26N4O2/c1-11-10-19(14-7-6-13(17)12(2)18-14)8-9-20(11)22-15(21)16(3,4)5/h6-7,11H,8-10,17H2,1-5H3/t11-/m1/s1
InChIKeyJQCXGEZRXXJACJ-LLVKDONJSA-N
MW306.41 g/mol
LogP1.99
Rot. Bonds2

About [(2R)-4-(5-amino-6-methyl-2-pyridinyl)-2-methylpiperazin-1-yl] 2,2-dimethylpropanoate

[(2R)-4-(5-amino-6-methyl-2-pyridinyl)-2-methylpiperazin-1-yl] 2,2-dimethylpropanoate (PubChem CID 174591422) has the molecular formula C16H26N4O2 and a molecular weight of 306.41 g/mol. Its IUPAC name is [(2R)-4-(5-amino-6-methyl-2-pyridinyl)-2-methylpiperazin-1-yl] 2,2-dimethylpropanoate.

Molecular Properties

Compound Name[(2R)-4-(5-amino-6-methyl-2-pyridinyl)-2-methylpiperazin-1-yl] 2,2-dimethylpropanoate
PubChem CID174591422
Molecular FormulaC16H26N4O2
Molecular Weight306.41 g/mol
Exact Mass306.21
IUPAC Name[(2R)-4-(5-amino-6-methyl-2-pyridinyl)-2-methylpiperazin-1-yl] 2,2-dimethylpropanoate
SMILESCc1nc(N2CCN(OC(=O)C(C)(C)C)[C@H](C)C2)ccc1N
InChIInChI=1S/C16H26N4O2/c1-11-10-19(14-7-6-13(17)12(2)18-14)8-9-20(11)22-15(21)16(3,4)5/h6-7,11H,8-10,17H2,1-5H3/t11-/m1/s1
InChIKeyJQCXGEZRXXJACJ-LLVKDONJSA-N
XLogP1.99
TPSA71.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [(2R)-4-(5-amino-6-methyl-2-pyridinyl)-2-methylpiperazin-1-yl] 2,2-dimethylpropanoate?
The IUPAC name of [(2R)-4-(5-amino-6-methyl-2-pyridinyl)-2-methylpiperazin-1-yl] 2,2-dimethylpropanoate (CID 174591422) is [(2R)-4-(5-amino-6-methyl-2-pyridinyl)-2-methylpiperazin-1-yl] 2,2-dimethylpropanoate.
What is the SMILES notation for [(2R)-4-(5-amino-6-methyl-2-pyridinyl)-2-methylpiperazin-1-yl] 2,2-dimethylpropanoate?
The canonical SMILES for [(2R)-4-(5-amino-6-methyl-2-pyridinyl)-2-methylpiperazin-1-yl] 2,2-dimethylpropanoate is Cc1nc(N2CCN(OC(=O)C(C)(C)C)[C@H](C)C2)ccc1N.
What is the InChIKey of [(2R)-4-(5-amino-6-methyl-2-pyridinyl)-2-methylpiperazin-1-yl] 2,2-dimethylpropanoate?
The InChIKey is JQCXGEZRXXJACJ-LLVKDONJSA-N. The full InChI is InChI=1S/C16H26N4O2/c1-11-10-19(14-7-6-13(17)12(2)18-14)8-9-20(11)22-15(21)16(3,4)5/h6-7,11H,8-10,17H2,1-5H3/t11-/m1/s1.
What are the key properties of [(2R)-4-(5-amino-6-methyl-2-pyridinyl)-2-methylpiperazin-1-yl] 2,2-dimethylpropanoate?
[(2R)-4-(5-amino-6-methyl-2-pyridinyl)-2-methylpiperazin-1-yl] 2,2-dimethylpropanoate has a molecular weight of 306.41 g/mol, XLogP of 1.99, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-4-(5-amino-6-methyl-2-pyridinyl)-2-methylpiperazin-1-yl] 2,2-dimethylpropanoate is sourced from PubChem (CID 174591422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).