methyl 4-(3-amino-4-pyridinyl)piperazine-1-carboxylate

C11H16N4O2 — CID 43462446

IUPACmethyl 4-(3-amino-4-pyridinyl)piperazine-1-carboxylate
SMILESCOC(=O)N1CCN(c2ccncc2N)CC1
InChIInChI=1S/C11H16N4O2/c1-17-11(16)15-6-4-14(5-7-15)10-2-3-13-8-9(10)12/h2-3,8H,4-7,12H2,1H3
InChIKeyULGUMKBJECJVBC-UHFFFAOYSA-N
MW236.28 g/mol
LogP0.55
Rot. Bonds1

About methyl 4-(3-amino-4-pyridinyl)piperazine-1-carboxylate

methyl 4-(3-amino-4-pyridinyl)piperazine-1-carboxylate (PubChem CID 43462446) has the molecular formula C11H16N4O2 and a molecular weight of 236.28 g/mol. Its IUPAC name is methyl 4-(3-amino-4-pyridinyl)piperazine-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-(3-amino-4-pyridinyl)piperazine-1-carboxylate
PubChem CID43462446
Molecular FormulaC11H16N4O2
Molecular Weight236.28 g/mol
Exact Mass236.13
IUPAC Namemethyl 4-(3-amino-4-pyridinyl)piperazine-1-carboxylate
SMILESCOC(=O)N1CCN(c2ccncc2N)CC1
InChIInChI=1S/C11H16N4O2/c1-17-11(16)15-6-4-14(5-7-15)10-2-3-13-8-9(10)12/h2-3,8H,4-7,12H2,1H3
InChIKeyULGUMKBJECJVBC-UHFFFAOYSA-N
XLogP0.55
TPSA71.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.28
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 4-(3-amino-4-pyridinyl)piperazine-1-carboxylate?
The IUPAC name of methyl 4-(3-amino-4-pyridinyl)piperazine-1-carboxylate (CID 43462446) is methyl 4-(3-amino-4-pyridinyl)piperazine-1-carboxylate.
What is the SMILES notation for methyl 4-(3-amino-4-pyridinyl)piperazine-1-carboxylate?
The canonical SMILES for methyl 4-(3-amino-4-pyridinyl)piperazine-1-carboxylate is COC(=O)N1CCN(c2ccncc2N)CC1.
What is the InChIKey of methyl 4-(3-amino-4-pyridinyl)piperazine-1-carboxylate?
The InChIKey is ULGUMKBJECJVBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O2/c1-17-11(16)15-6-4-14(5-7-15)10-2-3-13-8-9(10)12/h2-3,8H,4-7,12H2,1H3.
What are the key properties of methyl 4-(3-amino-4-pyridinyl)piperazine-1-carboxylate?
methyl 4-(3-amino-4-pyridinyl)piperazine-1-carboxylate has a molecular weight of 236.28 g/mol, XLogP of 0.55, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(3-amino-4-pyridinyl)piperazine-1-carboxylate is sourced from PubChem (CID 43462446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).