(6-amino-2-ethyl-3-pyridinyl) piperazine-1-carboxylate

C12H18N4O2 — CID 168966768

IUPAC(6-amino-2-ethyl-3-pyridinyl) piperazine-1-carboxylate
SMILESCCc1nc(N)ccc1OC(=O)N1CCNCC1
InChIInChI=1S/C12H18N4O2/c1-2-9-10(3-4-11(13)15-9)18-12(17)16-7-5-14-6-8-16/h3-4,14H,2,5-8H2,1H3,(H2,13,15)
InChIKeyTWOQAEPOZQWWML-UHFFFAOYSA-N
MW250.30 g/mol
LogP0.63
Rot. Bonds2

About (6-amino-2-ethyl-3-pyridinyl) piperazine-1-carboxylate

(6-amino-2-ethyl-3-pyridinyl) piperazine-1-carboxylate (PubChem CID 168966768) has the molecular formula C12H18N4O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is (6-amino-2-ethyl-3-pyridinyl) piperazine-1-carboxylate.

Molecular Properties

Compound Name(6-amino-2-ethyl-3-pyridinyl) piperazine-1-carboxylate
PubChem CID168966768
Molecular FormulaC12H18N4O2
Molecular Weight250.30 g/mol
Exact Mass250.14
IUPAC Name(6-amino-2-ethyl-3-pyridinyl) piperazine-1-carboxylate
SMILESCCc1nc(N)ccc1OC(=O)N1CCNCC1
InChIInChI=1S/C12H18N4O2/c1-2-9-10(3-4-11(13)15-9)18-12(17)16-7-5-14-6-8-16/h3-4,14H,2,5-8H2,1H3,(H2,13,15)
InChIKeyTWOQAEPOZQWWML-UHFFFAOYSA-N
XLogP0.63
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (6-amino-2-ethyl-3-pyridinyl) piperazine-1-carboxylate?
The IUPAC name of (6-amino-2-ethyl-3-pyridinyl) piperazine-1-carboxylate (CID 168966768) is (6-amino-2-ethyl-3-pyridinyl) piperazine-1-carboxylate.
What is the SMILES notation for (6-amino-2-ethyl-3-pyridinyl) piperazine-1-carboxylate?
The canonical SMILES for (6-amino-2-ethyl-3-pyridinyl) piperazine-1-carboxylate is CCc1nc(N)ccc1OC(=O)N1CCNCC1.
What is the InChIKey of (6-amino-2-ethyl-3-pyridinyl) piperazine-1-carboxylate?
The InChIKey is TWOQAEPOZQWWML-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2/c1-2-9-10(3-4-11(13)15-9)18-12(17)16-7-5-14-6-8-16/h3-4,14H,2,5-8H2,1H3,(H2,13,15).
What are the key properties of (6-amino-2-ethyl-3-pyridinyl) piperazine-1-carboxylate?
(6-amino-2-ethyl-3-pyridinyl) piperazine-1-carboxylate has a molecular weight of 250.30 g/mol, XLogP of 0.63, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6-amino-2-ethyl-3-pyridinyl) piperazine-1-carboxylate is sourced from PubChem (CID 168966768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).