methyl 2-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]acetate

C13H19N3O2 — CID 67382772

IUPACmethyl 2-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]acetate
SMILESCOC(=O)Cc1ccnc(N2CCN(C)CC2)c1
InChIInChI=1S/C13H19N3O2/c1-15-5-7-16(8-6-15)12-9-11(3-4-14-12)10-13(17)18-2/h3-4,9H,5-8,10H2,1-2H3
InChIKeyRJAMQYTXIHQBNQ-UHFFFAOYSA-N
MW249.31 g/mol
LogP0.55
Rot. Bonds3

About methyl 2-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]acetate

methyl 2-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]acetate (PubChem CID 67382772) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is methyl 2-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]acetate.

Molecular Properties

Compound Namemethyl 2-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]acetate
PubChem CID67382772
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Namemethyl 2-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]acetate
SMILESCOC(=O)Cc1ccnc(N2CCN(C)CC2)c1
InChIInChI=1S/C13H19N3O2/c1-15-5-7-16(8-6-15)12-9-11(3-4-14-12)10-13(17)18-2/h3-4,9H,5-8,10H2,1-2H3
InChIKeyRJAMQYTXIHQBNQ-UHFFFAOYSA-N
XLogP0.55
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 50.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl 2-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]acetate;2-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]acetamide
CID 162087129
4-methyl-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]piperazine-1-carboxamide
CID 155944201
1-methyl-4-(4-propyl-2-pyridinyl)piperazine
CID 145392081
methyl 3-[4-(4-methyl-2-pyridinyl)piperazin-1-yl]propanoate
CID 80703579
1-amino-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]cyclopropane-1-carboxamide
CID 119901458
(2R)-2-amino-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]propanamide
CID 119901488
(2S)-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]-5-oxopyrrolidine-2-carboxamide
CID 94889865
methyl 2-[2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]acetate
CID 142712818
1-amino-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]cyclopropane-1-carboxamide;trihydrochloride
CID 119901457
2-(4-methylpiperazin-1-yl)pyridine-4-carboxylic acid
CID 6484238
1-[(2R)-1-methoxypropan-2-yl]-1-methyl-3-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]urea
CID 94178037
1-(2-piperidin-1-yl-4-pyridinyl)propan-2-one
CID 83888257

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]acetate?
The IUPAC name of methyl 2-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]acetate (CID 67382772) is methyl 2-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]acetate.
What is the SMILES notation for methyl 2-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]acetate?
The canonical SMILES for methyl 2-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]acetate is COC(=O)Cc1ccnc(N2CCN(C)CC2)c1.
What is the InChIKey of methyl 2-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]acetate?
The InChIKey is RJAMQYTXIHQBNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-15-5-7-16(8-6-15)12-9-11(3-4-14-12)10-13(17)18-2/h3-4,9H,5-8,10H2,1-2H3.
What are the key properties of methyl 2-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]acetate?
methyl 2-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]acetate has a molecular weight of 249.31 g/mol, XLogP of 0.55, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]acetate is sourced from PubChem (CID 67382772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).