Potassium (+/-)-(3-chloro-2-pyridinyl)(4-methyl-1-piperazinyl)carboxylate

C11H14ClKN3O2 — CID 86647522

IUPAC—
SMILESCN1CCN(C(=O)Oc2ncccc2Cl)CC1.[K]
InChIInChI=1S/C11H14ClN3O2.K/c1-14-5-7-15(8-6-14)11(16)17-10-9(12)3-2-4-13-10;/h2-4H,5-8H2,1H3;
InChIKeyPPLOSCHAZDUNDK-UHFFFAOYSA-N
MW294.80 g/mol
LogP1.10
Rot. Bonds1

About Potassium (+/-)-(3-chloro-2-pyridinyl)(4-methyl-1-piperazinyl)carboxylate

Potassium (+/-)-(3-chloro-2-pyridinyl)(4-methyl-1-piperazinyl)carboxylate (PubChem CID 86647522) has the molecular formula C11H14ClKN3O2 and a molecular weight of 294.80 g/mol.

Molecular Properties

Compound NamePotassium (+/-)-(3-chloro-2-pyridinyl)(4-methyl-1-piperazinyl)carboxylate
PubChem CID86647522
Molecular FormulaC11H14ClKN3O2
Molecular Weight294.80 g/mol
Exact Mass294.04
IUPAC Name—
SMILESCN1CCN(C(=O)Oc2ncccc2Cl)CC1.[K]
InChIInChI=1S/C11H14ClN3O2.K/c1-14-5-7-15(8-6-14)11(16)17-10-9(12)3-2-4-13-10;/h2-4H,5-8H2,1H3;
InChIKeyPPLOSCHAZDUNDK-UHFFFAOYSA-N
XLogP1.10
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.80
LogP ≤ 51.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of Potassium (+/-)-(3-chloro-2-pyridinyl)(4-methyl-1-piperazinyl)carboxylate?
The IUPAC name of Potassium (+/-)-(3-chloro-2-pyridinyl)(4-methyl-1-piperazinyl)carboxylate (CID 86647522) is not available.
What is the SMILES notation for Potassium (+/-)-(3-chloro-2-pyridinyl)(4-methyl-1-piperazinyl)carboxylate?
The canonical SMILES for Potassium (+/-)-(3-chloro-2-pyridinyl)(4-methyl-1-piperazinyl)carboxylate is CN1CCN(C(=O)Oc2ncccc2Cl)CC1.[K].
What is the InChIKey of Potassium (+/-)-(3-chloro-2-pyridinyl)(4-methyl-1-piperazinyl)carboxylate?
The InChIKey is PPLOSCHAZDUNDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN3O2.K/c1-14-5-7-15(8-6-14)11(16)17-10-9(12)3-2-4-13-10;/h2-4H,5-8H2,1H3;.
What are the key properties of Potassium (+/-)-(3-chloro-2-pyridinyl)(4-methyl-1-piperazinyl)carboxylate?
Potassium (+/-)-(3-chloro-2-pyridinyl)(4-methyl-1-piperazinyl)carboxylate has a molecular weight of 294.80 g/mol, XLogP of 1.10, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for Potassium (+/-)-(3-chloro-2-pyridinyl)(4-methyl-1-piperazinyl)carboxylate is sourced from PubChem (CID 86647522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).