ethyl 2-(6-methyl-3-pyridinyl)-2-piperazin-1-ylacetate

C14H21N3O2 — CID 104822559

IUPACethyl 2-(6-methyl-3-pyridinyl)-2-piperazin-1-ylacetate
SMILESCCOC(=O)C(c1ccc(C)nc1)N1CCNCC1
InChIInChI=1S/C14H21N3O2/c1-3-19-14(18)13(17-8-6-15-7-9-17)12-5-4-11(2)16-10-12/h4-5,10,13,15H,3,6-9H2,1-2H3
InChIKeyDNOQUZKKPBLXNF-UHFFFAOYSA-N
MW263.34 g/mol
LogP0.90
Rot. Bonds4

About ethyl 2-(6-methyl-3-pyridinyl)-2-piperazin-1-ylacetate

ethyl 2-(6-methyl-3-pyridinyl)-2-piperazin-1-ylacetate (PubChem CID 104822559) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is ethyl 2-(6-methyl-3-pyridinyl)-2-piperazin-1-ylacetate.

Molecular Properties

Compound Nameethyl 2-(6-methyl-3-pyridinyl)-2-piperazin-1-ylacetate
PubChem CID104822559
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Nameethyl 2-(6-methyl-3-pyridinyl)-2-piperazin-1-ylacetate
SMILESCCOC(=O)C(c1ccc(C)nc1)N1CCNCC1
InChIInChI=1S/C14H21N3O2/c1-3-19-14(18)13(17-8-6-15-7-9-17)12-5-4-11(2)16-10-12/h4-5,10,13,15H,3,6-9H2,1-2H3
InChIKeyDNOQUZKKPBLXNF-UHFFFAOYSA-N
XLogP0.90
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(6-methyl-3-pyridinyl)-2-piperazin-1-ylacetic acid
CID 104822558
ethyl 2-(4-bromophenyl)-2-(1,4-diazepan-1-yl)acetate
CID 60992975
ethyl 2-(3-hydroxyphenyl)-2-piperazin-1-ylacetate
CID 54894698
ethyl 2-(3-bromo-4-chlorophenyl)-2-piperazin-1-ylacetate
CID 83230459
ethyl 2-(methylamino)-2-(6-methyl-3-pyridinyl)acetate
CID 104822502
ethyl (2R)-2-(4-chlorophenyl)-2-pyrrolidin-1-ylacetate
CID 162420045
ethyl 2-(cyclohexylamino)-2-(6-methyl-3-pyridinyl)acetate
CID 104822573
ethyl 2-(4-fluoroanilino)-2-(6-methyl-3-pyridinyl)acetate
CID 104822527
methyl (2R)-2-(4-chlorophenyl)-2-piperazin-1-ylacetate
CID 28819369
2-(4-butylphenyl)-2-piperazin-1-ylacetamide
CID 70044292
ethyl 3-methyl-2-piperazin-1-ylpentanoate
CID 61319359
ethyl 2-(4-chloro-2-fluorophenyl)-2-(1,4-diazepan-1-yl)acetate
CID 114843687

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(6-methyl-3-pyridinyl)-2-piperazin-1-ylacetate?
The IUPAC name of ethyl 2-(6-methyl-3-pyridinyl)-2-piperazin-1-ylacetate (CID 104822559) is ethyl 2-(6-methyl-3-pyridinyl)-2-piperazin-1-ylacetate.
What is the SMILES notation for ethyl 2-(6-methyl-3-pyridinyl)-2-piperazin-1-ylacetate?
The canonical SMILES for ethyl 2-(6-methyl-3-pyridinyl)-2-piperazin-1-ylacetate is CCOC(=O)C(c1ccc(C)nc1)N1CCNCC1.
What is the InChIKey of ethyl 2-(6-methyl-3-pyridinyl)-2-piperazin-1-ylacetate?
The InChIKey is DNOQUZKKPBLXNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-3-19-14(18)13(17-8-6-15-7-9-17)12-5-4-11(2)16-10-12/h4-5,10,13,15H,3,6-9H2,1-2H3.
What are the key properties of ethyl 2-(6-methyl-3-pyridinyl)-2-piperazin-1-ylacetate?
ethyl 2-(6-methyl-3-pyridinyl)-2-piperazin-1-ylacetate has a molecular weight of 263.34 g/mol, XLogP of 0.90, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(6-methyl-3-pyridinyl)-2-piperazin-1-ylacetate is sourced from PubChem (CID 104822559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).