2-(2-phenoxyethoxy)-3-piperidin-4-yloxypyrazine

C17H21N3O3 — CID 22036490

IUPAC2-(2-phenoxyethoxy)-3-piperidin-4-yloxypyrazine
SMILESc1ccc(OCCOc2nccnc2OC2CCNCC2)cc1
InChIInChI=1S/C17H21N3O3/c1-2-4-14(5-3-1)21-12-13-22-16-17(20-11-10-19-16)23-15-6-8-18-9-7-15/h1-5,10-11,15,18H,6-9,12-13H2
InChIKeyVVWUEQSEZUGUCG-UHFFFAOYSA-N
MW315.37 g/mol
LogP2.07
Rot. Bonds7

About 2-(2-phenoxyethoxy)-3-piperidin-4-yloxypyrazine

2-(2-phenoxyethoxy)-3-piperidin-4-yloxypyrazine (PubChem CID 22036490) has the molecular formula C17H21N3O3 and a molecular weight of 315.37 g/mol. Its IUPAC name is 2-(2-phenoxyethoxy)-3-piperidin-4-yloxypyrazine.

Molecular Properties

Compound Name2-(2-phenoxyethoxy)-3-piperidin-4-yloxypyrazine
PubChem CID22036490
Molecular FormulaC17H21N3O3
Molecular Weight315.37 g/mol
Exact Mass315.16
IUPAC Name2-(2-phenoxyethoxy)-3-piperidin-4-yloxypyrazine
SMILESc1ccc(OCCOc2nccnc2OC2CCNCC2)cc1
InChIInChI=1S/C17H21N3O3/c1-2-4-14(5-3-1)21-12-13-22-16-17(20-11-10-19-16)23-15-6-8-18-9-7-15/h1-5,10-11,15,18H,6-9,12-13H2
InChIKeyVVWUEQSEZUGUCG-UHFFFAOYSA-N
XLogP2.07
TPSA65.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-piperidin-4-yloxypyridine;dihydrochloride
CID 22989727
2-methyl-3-piperidin-4-yloxypyrazine;hydrochloride
CID 71639336
2-(2-phenoxyethoxy)-3-pyrrolidin-1-yloxypyrazine
CID 22036283
2-phenoxyethyl 3-piperidin-4-yloxy-1-benzothiophene-2-carboxylate
CID 71586185
2-piperidin-4-yloxypyrimidine
CID 3836732
ethane;2-piperidin-4-yloxypyridine
CID 142889945
1-pyrrolidin-3-yloxyisoquinoline;hydrochloride
CID 14497379
4-[3-(2-phenoxyethoxy)prop-1-ynyl]piperidine
CID 162371992
3-(2-phenoxyethoxymethyl)pyrrolidine
CID 56829876
1-ethyl-3-piperidin-4-yloxypyrazin-2-one
CID 62929757
4-(4-propoxyphenoxy)azepane
CID 63904480
5-methoxy-1-piperidin-4-yloxyisoquinoline
CID 82569775

Frequently Asked Questions

What is the IUPAC name of 2-(2-phenoxyethoxy)-3-piperidin-4-yloxypyrazine?
The IUPAC name of 2-(2-phenoxyethoxy)-3-piperidin-4-yloxypyrazine (CID 22036490) is 2-(2-phenoxyethoxy)-3-piperidin-4-yloxypyrazine.
What is the SMILES notation for 2-(2-phenoxyethoxy)-3-piperidin-4-yloxypyrazine?
The canonical SMILES for 2-(2-phenoxyethoxy)-3-piperidin-4-yloxypyrazine is c1ccc(OCCOc2nccnc2OC2CCNCC2)cc1.
What is the InChIKey of 2-(2-phenoxyethoxy)-3-piperidin-4-yloxypyrazine?
The InChIKey is VVWUEQSEZUGUCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3/c1-2-4-14(5-3-1)21-12-13-22-16-17(20-11-10-19-16)23-15-6-8-18-9-7-15/h1-5,10-11,15,18H,6-9,12-13H2.
What are the key properties of 2-(2-phenoxyethoxy)-3-piperidin-4-yloxypyrazine?
2-(2-phenoxyethoxy)-3-piperidin-4-yloxypyrazine has a molecular weight of 315.37 g/mol, XLogP of 2.07, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-phenoxyethoxy)-3-piperidin-4-yloxypyrazine is sourced from PubChem (CID 22036490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).