ethyl 2-[4-(3-amino-4-pyridinyl)piperazin-1-yl]acetate

C13H20N4O2 — CID 43462466

IUPACethyl 2-[4-(3-amino-4-pyridinyl)piperazin-1-yl]acetate
SMILESCCOC(=O)CN1CCN(c2ccncc2N)CC1
InChIInChI=1S/C13H20N4O2/c1-2-19-13(18)10-16-5-7-17(8-6-16)12-3-4-15-9-11(12)14/h3-4,9H,2,5-8,10,14H2,1H3
InChIKeyFHBAZBCULYQQQZ-UHFFFAOYSA-N
MW264.33 g/mol
LogP0.35
Rot. Bonds4

About ethyl 2-[4-(3-amino-4-pyridinyl)piperazin-1-yl]acetate

ethyl 2-[4-(3-amino-4-pyridinyl)piperazin-1-yl]acetate (PubChem CID 43462466) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is ethyl 2-[4-(3-amino-4-pyridinyl)piperazin-1-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[4-(3-amino-4-pyridinyl)piperazin-1-yl]acetate
PubChem CID43462466
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC Nameethyl 2-[4-(3-amino-4-pyridinyl)piperazin-1-yl]acetate
SMILESCCOC(=O)CN1CCN(c2ccncc2N)CC1
InChIInChI=1S/C13H20N4O2/c1-2-19-13(18)10-16-5-7-17(8-6-16)12-3-4-15-9-11(12)14/h3-4,9H,2,5-8,10,14H2,1H3
InChIKeyFHBAZBCULYQQQZ-UHFFFAOYSA-N
XLogP0.35
TPSA71.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-(3-amino-4-pyridinyl)piperazin-1-yl]acetate?
The IUPAC name of ethyl 2-[4-(3-amino-4-pyridinyl)piperazin-1-yl]acetate (CID 43462466) is ethyl 2-[4-(3-amino-4-pyridinyl)piperazin-1-yl]acetate.
What is the SMILES notation for ethyl 2-[4-(3-amino-4-pyridinyl)piperazin-1-yl]acetate?
The canonical SMILES for ethyl 2-[4-(3-amino-4-pyridinyl)piperazin-1-yl]acetate is CCOC(=O)CN1CCN(c2ccncc2N)CC1.
What is the InChIKey of ethyl 2-[4-(3-amino-4-pyridinyl)piperazin-1-yl]acetate?
The InChIKey is FHBAZBCULYQQQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2/c1-2-19-13(18)10-16-5-7-17(8-6-16)12-3-4-15-9-11(12)14/h3-4,9H,2,5-8,10,14H2,1H3.
What are the key properties of ethyl 2-[4-(3-amino-4-pyridinyl)piperazin-1-yl]acetate?
ethyl 2-[4-(3-amino-4-pyridinyl)piperazin-1-yl]acetate has a molecular weight of 264.33 g/mol, XLogP of 0.35, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-(3-amino-4-pyridinyl)piperazin-1-yl]acetate is sourced from PubChem (CID 43462466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).