methyl 4-(3-amino-4-pyridinyl)piperazine-2-carboxylate

C11H16N4O2 — CID 70886809

IUPACmethyl 4-(3-amino-4-pyridinyl)piperazine-2-carboxylate
SMILESCOC(=O)C1CN(c2ccncc2N)CCN1
InChIInChI=1S/C11H16N4O2/c1-17-11(16)9-7-15(5-4-14-9)10-2-3-13-6-8(10)12/h2-3,6,9,14H,4-5,7,12H2,1H3
InChIKeyDSKIFTJBFJCKRL-UHFFFAOYSA-N
MW236.27 g/mol
LogP-0.38
Rot. Bonds2

About methyl 4-(3-amino-4-pyridinyl)piperazine-2-carboxylate

methyl 4-(3-amino-4-pyridinyl)piperazine-2-carboxylate (PubChem CID 70886809) has the molecular formula C11H16N4O2 and a molecular weight of 236.27 g/mol. Its IUPAC name is methyl 4-(3-amino-4-pyridinyl)piperazine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-(3-amino-4-pyridinyl)piperazine-2-carboxylate
PubChem CID70886809
Molecular FormulaC11H16N4O2
Molecular Weight236.27 g/mol
Exact Mass236.13
IUPAC Namemethyl 4-(3-amino-4-pyridinyl)piperazine-2-carboxylate
SMILESCOC(=O)C1CN(c2ccncc2N)CCN1
InChIInChI=1S/C11H16N4O2/c1-17-11(16)9-7-15(5-4-14-9)10-2-3-13-6-8(10)12/h2-3,6,9,14H,4-5,7,12H2,1H3
InChIKeyDSKIFTJBFJCKRL-UHFFFAOYSA-N
XLogP-0.38
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 5-0.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 4-(3-amino-4-pyridinyl)piperazine-2-carboxylate?
The IUPAC name of methyl 4-(3-amino-4-pyridinyl)piperazine-2-carboxylate (CID 70886809) is methyl 4-(3-amino-4-pyridinyl)piperazine-2-carboxylate.
What is the SMILES notation for methyl 4-(3-amino-4-pyridinyl)piperazine-2-carboxylate?
The canonical SMILES for methyl 4-(3-amino-4-pyridinyl)piperazine-2-carboxylate is COC(=O)C1CN(c2ccncc2N)CCN1.
What is the InChIKey of methyl 4-(3-amino-4-pyridinyl)piperazine-2-carboxylate?
The InChIKey is DSKIFTJBFJCKRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O2/c1-17-11(16)9-7-15(5-4-14-9)10-2-3-13-6-8(10)12/h2-3,6,9,14H,4-5,7,12H2,1H3.
What are the key properties of methyl 4-(3-amino-4-pyridinyl)piperazine-2-carboxylate?
methyl 4-(3-amino-4-pyridinyl)piperazine-2-carboxylate has a molecular weight of 236.27 g/mol, XLogP of -0.38, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(3-amino-4-pyridinyl)piperazine-2-carboxylate is sourced from PubChem (CID 70886809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).