1-[3-chloro-5-(2-methoxyethoxy)-2-pyridinyl]piperazine

C12H18ClN3O2 — CID 155272505

IUPAC1-[3-chloro-5-(2-methoxyethoxy)-2-pyridinyl]piperazine
SMILESCOCCOc1cnc(N2CCNCC2)c(Cl)c1
InChIInChI=1S/C12H18ClN3O2/c1-17-6-7-18-10-8-11(13)12(15-9-10)16-4-2-14-3-5-16/h8-9,14H,2-7H2,1H3
InChIKeyLYNQTRJDYAOFGI-UHFFFAOYSA-N
MW271.75 g/mol
LogP1.17
Rot. Bonds5

About 1-[3-chloro-5-(2-methoxyethoxy)-2-pyridinyl]piperazine

1-[3-chloro-5-(2-methoxyethoxy)-2-pyridinyl]piperazine (PubChem CID 155272505) has the molecular formula C12H18ClN3O2 and a molecular weight of 271.75 g/mol. Its IUPAC name is 1-[3-chloro-5-(2-methoxyethoxy)-2-pyridinyl]piperazine.

Molecular Properties

Compound Name1-[3-chloro-5-(2-methoxyethoxy)-2-pyridinyl]piperazine
PubChem CID155272505
Molecular FormulaC12H18ClN3O2
Molecular Weight271.75 g/mol
Exact Mass271.11
IUPAC Name1-[3-chloro-5-(2-methoxyethoxy)-2-pyridinyl]piperazine
SMILESCOCCOc1cnc(N2CCNCC2)c(Cl)c1
InChIInChI=1S/C12H18ClN3O2/c1-17-6-7-18-10-8-11(13)12(15-9-10)16-4-2-14-3-5-16/h8-9,14H,2-7H2,1H3
InChIKeyLYNQTRJDYAOFGI-UHFFFAOYSA-N
XLogP1.17
TPSA46.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.75
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[3-chloro-5-(2-methoxyethoxy)-2-pyridinyl]piperazine?
The IUPAC name of 1-[3-chloro-5-(2-methoxyethoxy)-2-pyridinyl]piperazine (CID 155272505) is 1-[3-chloro-5-(2-methoxyethoxy)-2-pyridinyl]piperazine.
What is the SMILES notation for 1-[3-chloro-5-(2-methoxyethoxy)-2-pyridinyl]piperazine?
The canonical SMILES for 1-[3-chloro-5-(2-methoxyethoxy)-2-pyridinyl]piperazine is COCCOc1cnc(N2CCNCC2)c(Cl)c1.
What is the InChIKey of 1-[3-chloro-5-(2-methoxyethoxy)-2-pyridinyl]piperazine?
The InChIKey is LYNQTRJDYAOFGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN3O2/c1-17-6-7-18-10-8-11(13)12(15-9-10)16-4-2-14-3-5-16/h8-9,14H,2-7H2,1H3.
What are the key properties of 1-[3-chloro-5-(2-methoxyethoxy)-2-pyridinyl]piperazine?
1-[3-chloro-5-(2-methoxyethoxy)-2-pyridinyl]piperazine has a molecular weight of 271.75 g/mol, XLogP of 1.17, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-chloro-5-(2-methoxyethoxy)-2-pyridinyl]piperazine is sourced from PubChem (CID 155272505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).