methyl 2-(6-piperazin-1-yl-3-pyridinyl)acetate

C12H17N3O2 — CID 139530958

IUPACmethyl 2-(6-piperazin-1-yl-3-pyridinyl)acetate
SMILESCOC(=O)Cc1ccc(N2CCNCC2)nc1
InChIInChI=1S/C12H17N3O2/c1-17-12(16)8-10-2-3-11(14-9-10)15-6-4-13-5-7-15/h2-3,9,13H,4-8H2,1H3
InChIKeyGCZRXLRDMHUJHO-UHFFFAOYSA-N
MW235.29 g/mol
LogP0.21
Rot. Bonds3

About methyl 2-(6-piperazin-1-yl-3-pyridinyl)acetate

methyl 2-(6-piperazin-1-yl-3-pyridinyl)acetate (PubChem CID 139530958) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is methyl 2-(6-piperazin-1-yl-3-pyridinyl)acetate.

Molecular Properties

Compound Namemethyl 2-(6-piperazin-1-yl-3-pyridinyl)acetate
PubChem CID139530958
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Namemethyl 2-(6-piperazin-1-yl-3-pyridinyl)acetate
SMILESCOC(=O)Cc1ccc(N2CCNCC2)nc1
InChIInChI=1S/C12H17N3O2/c1-17-12(16)8-10-2-3-11(14-9-10)15-6-4-13-5-7-15/h2-3,9,13H,4-8H2,1H3
InChIKeyGCZRXLRDMHUJHO-UHFFFAOYSA-N
XLogP0.21
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 50.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(6-piperazin-1-yl-3-pyridinyl)methanol
CID 23385573
1-(5-propyl-2-pyridinyl)piperazine
CID 152988088
1-(6-piperidin-1-yl-3-pyridinyl)propan-2-one
CID 83888260
2-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]acetic acid
CID 83896648
1-(5-methoxy-2-pyridinyl)-1,4-diazepane
CID 83848456
1-[5-[2-(3-methoxycyclobutyl)oxyethyl]-2-pyridinyl]piperazine
CID 156719607
methyl 2-[6-[4-(7,7-dimethyl-5,6-dihydro-4H-pyrazolo[4,3-c]pyridine-2-carbonyl)-3,3-dimethylpiperazin-1-yl]-3-pyridinyl]acetate
CID 170606274
ethane;methyl 2-(6-chloro-3-pyridinyl)acetate
CID 142918982
1-[5-[3-(3-methoxycyclobutyl)oxypropyl]-2-pyridinyl]piperazine
CID 156719796
N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-2-methoxyacetamide
CID 71842546
methyl 2-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]acetate
CID 67382772
6-piperazin-1-yl-N,N-bis(trideuteriomethyl)pyridine-3-carboxamide
CID 177300833

Frequently Asked Questions

What is the IUPAC name of methyl 2-(6-piperazin-1-yl-3-pyridinyl)acetate?
The IUPAC name of methyl 2-(6-piperazin-1-yl-3-pyridinyl)acetate (CID 139530958) is methyl 2-(6-piperazin-1-yl-3-pyridinyl)acetate.
What is the SMILES notation for methyl 2-(6-piperazin-1-yl-3-pyridinyl)acetate?
The canonical SMILES for methyl 2-(6-piperazin-1-yl-3-pyridinyl)acetate is COC(=O)Cc1ccc(N2CCNCC2)nc1.
What is the InChIKey of methyl 2-(6-piperazin-1-yl-3-pyridinyl)acetate?
The InChIKey is GCZRXLRDMHUJHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c1-17-12(16)8-10-2-3-11(14-9-10)15-6-4-13-5-7-15/h2-3,9,13H,4-8H2,1H3.
What are the key properties of methyl 2-(6-piperazin-1-yl-3-pyridinyl)acetate?
methyl 2-(6-piperazin-1-yl-3-pyridinyl)acetate has a molecular weight of 235.29 g/mol, XLogP of 0.21, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(6-piperazin-1-yl-3-pyridinyl)acetate is sourced from PubChem (CID 139530958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).