4-(6-methoxy-2-pyridinyl)piperazine-1-carboxylic acid

C11H15N3O3 — CID 91502477

IUPAC4-(6-methoxy-2-pyridinyl)piperazine-1-carboxylic acid
SMILESCOc1cccc(N2CCN(C(=O)O)CC2)n1
InChIInChI=1S/C11H15N3O3/c1-17-10-4-2-3-9(12-10)13-5-7-14(8-6-13)11(15)16/h2-4H,5-8H2,1H3,(H,15,16)
InChIKeyRBIIGBVFUFZNGO-UHFFFAOYSA-N
MW237.26 g/mol
LogP0.89
Rot. Bonds2

About 4-(6-methoxy-2-pyridinyl)piperazine-1-carboxylic acid

4-(6-methoxy-2-pyridinyl)piperazine-1-carboxylic acid (PubChem CID 91502477) has the molecular formula C11H15N3O3 and a molecular weight of 237.26 g/mol. Its IUPAC name is 4-(6-methoxy-2-pyridinyl)piperazine-1-carboxylic acid.

Molecular Properties

Compound Name4-(6-methoxy-2-pyridinyl)piperazine-1-carboxylic acid
PubChem CID91502477
Molecular FormulaC11H15N3O3
Molecular Weight237.26 g/mol
Exact Mass237.11
IUPAC Name4-(6-methoxy-2-pyridinyl)piperazine-1-carboxylic acid
SMILESCOc1cccc(N2CCN(C(=O)O)CC2)n1
InChIInChI=1S/C11H15N3O3/c1-17-10-4-2-3-9(12-10)13-5-7-14(8-6-13)11(15)16/h2-4H,5-8H2,1H3,(H,15,16)
InChIKeyRBIIGBVFUFZNGO-UHFFFAOYSA-N
XLogP0.89
TPSA65.90 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-amino-3,5-dichlorophenyl)-[4-(6-methoxy-2-pyridinyl)piperazin-1-yl]methanone
CID 11589015
2-methoxy-6-(4-methylidenepiperidin-1-yl)pyridine
CID 175648058
1-(4-fluorophenyl)-4-(6-methoxy-2-pyridinyl)piperazine
CID 155976125
3-amino-1-(6-methoxy-2-pyridinyl)pyrrolidine-3-carboxylic acid
CID 107325371
2-(4,4-difluoropiperidin-1-yl)-6-methoxypyridine
CID 169116672
1-(6-methoxy-2-pyridinyl)-N-methylpiperidin-4-amine
CID 63591617
(4,4-difluoropiperidin-1-yl)-[1-(6-methoxy-2-pyridinyl)piperidin-4-yl]methanone
CID 155975856
1-[1-(6-methoxy-2-pyridinyl)piperidin-4-yl]ethanol
CID 106837299
2-(3-chloropyrrolidin-1-yl)-6-methoxypyridine
CID 63587814
4-[6-(4-methylanilino)-2-pyridinyl]piperazine-1-carboxylic acid
CID 122624076
2-[4-(6-methoxy-2-pyridinyl)piperazin-1-yl]-2-methylpropan-1-amine
CID 63591622
2-[4-(6-methoxy-2-pyridinyl)piperazin-1-yl]pyridin-3-amine
CID 63590796

Frequently Asked Questions

What is the IUPAC name of 4-(6-methoxy-2-pyridinyl)piperazine-1-carboxylic acid?
The IUPAC name of 4-(6-methoxy-2-pyridinyl)piperazine-1-carboxylic acid (CID 91502477) is 4-(6-methoxy-2-pyridinyl)piperazine-1-carboxylic acid.
What is the SMILES notation for 4-(6-methoxy-2-pyridinyl)piperazine-1-carboxylic acid?
The canonical SMILES for 4-(6-methoxy-2-pyridinyl)piperazine-1-carboxylic acid is COc1cccc(N2CCN(C(=O)O)CC2)n1.
What is the InChIKey of 4-(6-methoxy-2-pyridinyl)piperazine-1-carboxylic acid?
The InChIKey is RBIIGBVFUFZNGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3/c1-17-10-4-2-3-9(12-10)13-5-7-14(8-6-13)11(15)16/h2-4H,5-8H2,1H3,(H,15,16).
What are the key properties of 4-(6-methoxy-2-pyridinyl)piperazine-1-carboxylic acid?
4-(6-methoxy-2-pyridinyl)piperazine-1-carboxylic acid has a molecular weight of 237.26 g/mol, XLogP of 0.89, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-methoxy-2-pyridinyl)piperazine-1-carboxylic acid is sourced from PubChem (CID 91502477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).