2-[2-[(6-chloro-3-pyridinyl)oxy]ethoxy]-3-piperazin-1-ylpyrazine

C15H18ClN5O2 — CID 22036286

IUPAC2-[2-[(6-chloro-3-pyridinyl)oxy]ethoxy]-3-piperazin-1-ylpyrazine
SMILESClc1ccc(OCCOc2nccnc2N2CCNCC2)cn1
InChIInChI=1S/C15H18ClN5O2/c16-13-2-1-12(11-20-13)22-9-10-23-15-14(18-3-4-19-15)21-7-5-17-6-8-21/h1-4,11,17H,5-10H2
InChIKeyPGPNJAUYYDPKIT-UHFFFAOYSA-N
MW335.80 g/mol
LogP1.39
Rot. Bonds6

About 2-[2-[(6-chloro-3-pyridinyl)oxy]ethoxy]-3-piperazin-1-ylpyrazine

2-[2-[(6-chloro-3-pyridinyl)oxy]ethoxy]-3-piperazin-1-ylpyrazine (PubChem CID 22036286) has the molecular formula C15H18ClN5O2 and a molecular weight of 335.80 g/mol. Its IUPAC name is 2-[2-[(6-chloro-3-pyridinyl)oxy]ethoxy]-3-piperazin-1-ylpyrazine.

Molecular Properties

Compound Name2-[2-[(6-chloro-3-pyridinyl)oxy]ethoxy]-3-piperazin-1-ylpyrazine
PubChem CID22036286
Molecular FormulaC15H18ClN5O2
Molecular Weight335.80 g/mol
Exact Mass335.11
IUPAC Name2-[2-[(6-chloro-3-pyridinyl)oxy]ethoxy]-3-piperazin-1-ylpyrazine
SMILESClc1ccc(OCCOc2nccnc2N2CCNCC2)cn1
InChIInChI=1S/C15H18ClN5O2/c16-13-2-1-12(11-20-13)22-9-10-23-15-14(18-3-4-19-15)21-7-5-17-6-8-21/h1-4,11,17H,5-10H2
InChIKeyPGPNJAUYYDPKIT-UHFFFAOYSA-N
XLogP1.39
TPSA72.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.80
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-piperazin-1-yl-3-(2-thiophen-3-yloxyethoxy)pyrazine
CID 22036428
2-[2-(4-chlorophenoxy)ethoxy]-3-(3-methylpiperazin-1-yl)pyrazine
CID 22036410
2-[2-(2,6-difluorophenoxy)ethoxy]-3-piperazin-1-ylpyrazine
CID 22036368
5-[2-(3-piperazin-1-ylpyrazin-2-yl)oxyethoxy]quinoxaline
CID 22036271
N-phenyl-3-[2-(3-piperazin-1-ylpyrazin-2-yl)oxyethoxy]aniline
CID 22036521
8-[2-(3-piperazin-1-ylpyrazin-2-yl)oxyethoxy]quinoline
CID 22036264
2-[2-[(2-methylsulfanyl-3-pyridinyl)oxy]ethoxy]-3-piperazin-1-ylpyrazine
CID 22036488
3-piperazin-1-yl-4-(2-pyridin-3-yloxyethoxy)-1,2,5-thiadiazole
CID 22036377
7-[2-(3-piperazin-1-ylpyrazin-2-yl)oxyethoxy]-1H-indole
CID 22036358
2-[2-(4-chlorophenoxy)ethoxy]-3-piperazin-1-ylquinoxaline
CID 22036291
1-[3-chloro-5-(2-methoxyethoxy)-2-pyridinyl]piperazine
CID 155272505
8-[2-(3-piperazin-1-ylpyrazin-2-yl)oxyethoxy]-4H-1,4-benzoxazin-3-one
CID 22036369

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(6-chloro-3-pyridinyl)oxy]ethoxy]-3-piperazin-1-ylpyrazine?
The IUPAC name of 2-[2-[(6-chloro-3-pyridinyl)oxy]ethoxy]-3-piperazin-1-ylpyrazine (CID 22036286) is 2-[2-[(6-chloro-3-pyridinyl)oxy]ethoxy]-3-piperazin-1-ylpyrazine.
What is the SMILES notation for 2-[2-[(6-chloro-3-pyridinyl)oxy]ethoxy]-3-piperazin-1-ylpyrazine?
The canonical SMILES for 2-[2-[(6-chloro-3-pyridinyl)oxy]ethoxy]-3-piperazin-1-ylpyrazine is Clc1ccc(OCCOc2nccnc2N2CCNCC2)cn1.
What is the InChIKey of 2-[2-[(6-chloro-3-pyridinyl)oxy]ethoxy]-3-piperazin-1-ylpyrazine?
The InChIKey is PGPNJAUYYDPKIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN5O2/c16-13-2-1-12(11-20-13)22-9-10-23-15-14(18-3-4-19-15)21-7-5-17-6-8-21/h1-4,11,17H,5-10H2.
What are the key properties of 2-[2-[(6-chloro-3-pyridinyl)oxy]ethoxy]-3-piperazin-1-ylpyrazine?
2-[2-[(6-chloro-3-pyridinyl)oxy]ethoxy]-3-piperazin-1-ylpyrazine has a molecular weight of 335.80 g/mol, XLogP of 1.39, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(6-chloro-3-pyridinyl)oxy]ethoxy]-3-piperazin-1-ylpyrazine is sourced from PubChem (CID 22036286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).