2-(6-methyl-3-pyridinyl)-2-piperazin-1-ylacetic acid

C12H17N3O2 — CID 104822558

IUPAC2-(6-methyl-3-pyridinyl)-2-piperazin-1-ylacetic acid
SMILESCc1ccc(C(C(=O)O)N2CCNCC2)cn1
InChIInChI=1S/C12H17N3O2/c1-9-2-3-10(8-14-9)11(12(16)17)15-6-4-13-5-7-15/h2-3,8,11,13H,4-7H2,1H3,(H,16,17)
InChIKeyRUEFGMWHPBPIMG-UHFFFAOYSA-N
MW235.29 g/mol
LogP0.42
Rot. Bonds3

About 2-(6-methyl-3-pyridinyl)-2-piperazin-1-ylacetic acid

2-(6-methyl-3-pyridinyl)-2-piperazin-1-ylacetic acid (PubChem CID 104822558) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is 2-(6-methyl-3-pyridinyl)-2-piperazin-1-ylacetic acid.

Molecular Properties

Compound Name2-(6-methyl-3-pyridinyl)-2-piperazin-1-ylacetic acid
PubChem CID104822558
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name2-(6-methyl-3-pyridinyl)-2-piperazin-1-ylacetic acid
SMILESCc1ccc(C(C(=O)O)N2CCNCC2)cn1
InChIInChI=1S/C12H17N3O2/c1-9-2-3-10(8-14-9)11(12(16)17)15-6-4-13-5-7-15/h2-3,8,11,13H,4-7H2,1H3,(H,16,17)
InChIKeyRUEFGMWHPBPIMG-UHFFFAOYSA-N
XLogP0.42
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-(6-methyl-3-pyridinyl)-2-piperazin-1-ylacetate
CID 104822559
(2S)-2-piperazin-1-yl-2-pyridin-3-ylacetic acid
CID 93409129
2-(2-methylquinolin-6-yl)-2-piperazin-1-ylacetic acid
CID 105378911
(2S)-2-phenyl-2-piperazin-1-ylacetic acid
CID 93409057
2-(4-bromophenyl)-2-piperazin-1-ylacetic acid
CID 11145832
2-(4-acetylphenyl)-2-(1,4,7,10-tetrazacyclododec-1-yl)acetic acid
CID 118413005
2-(4-methoxy-3-methylphenyl)-2-piperazin-1-ylacetic acid
CID 55039331
2-(1,4-diazepan-1-yl)-2-(4-fluorophenyl)acetic acid
CID 54890531
2-(1,4-diazepan-1-yl)-2-phenylacetic acid
CID 54890245
2-(1,4-diazepan-1-yl)-2-(6-methyl-3-pyridinyl)acetonitrile
CID 113457123
2-(1,4-diazepan-1-yl)-2-(4-propan-2-yloxyphenyl)acetic acid
CID 60994101
(6-methyl-3-pyridinyl)-piperazin-1-ylmethanone
CID 16787061

Frequently Asked Questions

What is the IUPAC name of 2-(6-methyl-3-pyridinyl)-2-piperazin-1-ylacetic acid?
The IUPAC name of 2-(6-methyl-3-pyridinyl)-2-piperazin-1-ylacetic acid (CID 104822558) is 2-(6-methyl-3-pyridinyl)-2-piperazin-1-ylacetic acid.
What is the SMILES notation for 2-(6-methyl-3-pyridinyl)-2-piperazin-1-ylacetic acid?
The canonical SMILES for 2-(6-methyl-3-pyridinyl)-2-piperazin-1-ylacetic acid is Cc1ccc(C(C(=O)O)N2CCNCC2)cn1.
What is the InChIKey of 2-(6-methyl-3-pyridinyl)-2-piperazin-1-ylacetic acid?
The InChIKey is RUEFGMWHPBPIMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c1-9-2-3-10(8-14-9)11(12(16)17)15-6-4-13-5-7-15/h2-3,8,11,13H,4-7H2,1H3,(H,16,17).
What are the key properties of 2-(6-methyl-3-pyridinyl)-2-piperazin-1-ylacetic acid?
2-(6-methyl-3-pyridinyl)-2-piperazin-1-ylacetic acid has a molecular weight of 235.29 g/mol, XLogP of 0.42, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methyl-3-pyridinyl)-2-piperazin-1-ylacetic acid is sourced from PubChem (CID 104822558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).