[6-(2,3-dichlorophenyl)-3-(2-oxa-8-azaspiro[4.5]decan-8-yl)pyrazin-2-yl]methanol

C19H21Cl2N3O2 — CID 138553348

IUPAC[6-(2,3-dichlorophenyl)-3-(2-oxa-8-azaspiro[4.5]decan-8-yl)pyrazin-2-yl]methanol
SMILESOCc1nc(-c2cccc(Cl)c2Cl)cnc1N1CCC2(CCOC2)CC1
InChIInChI=1S/C19H21Cl2N3O2/c20-14-3-1-2-13(17(14)21)15-10-22-18(16(11-25)23-15)24-7-4-19(5-8-24)6-9-26-12-19/h1-3,10,25H,4-9,11-12H2
InChIKeyTXDLHJZUWAYBFK-UHFFFAOYSA-N
MW394.30 g/mol
LogP3.95
Rot. Bonds3

About [6-(2,3-dichlorophenyl)-3-(2-oxa-8-azaspiro[4.5]decan-8-yl)pyrazin-2-yl]methanol

[6-(2,3-dichlorophenyl)-3-(2-oxa-8-azaspiro[4.5]decan-8-yl)pyrazin-2-yl]methanol (PubChem CID 138553348) has the molecular formula C19H21Cl2N3O2 and a molecular weight of 394.30 g/mol. Its IUPAC name is [6-(2,3-dichlorophenyl)-3-(2-oxa-8-azaspiro[4.5]decan-8-yl)pyrazin-2-yl]methanol.

Molecular Properties

Compound Name[6-(2,3-dichlorophenyl)-3-(2-oxa-8-azaspiro[4.5]decan-8-yl)pyrazin-2-yl]methanol
PubChem CID138553348
Molecular FormulaC19H21Cl2N3O2
Molecular Weight394.30 g/mol
Exact Mass393.10
IUPAC Name[6-(2,3-dichlorophenyl)-3-(2-oxa-8-azaspiro[4.5]decan-8-yl)pyrazin-2-yl]methanol
SMILESOCc1nc(-c2cccc(Cl)c2Cl)cnc1N1CCC2(CCOC2)CC1
InChIInChI=1S/C19H21Cl2N3O2/c20-14-3-1-2-13(17(14)21)15-10-22-18(16(11-25)23-15)24-7-4-19(5-8-24)6-9-26-12-19/h1-3,10,25H,4-9,11-12H2
InChIKeyTXDLHJZUWAYBFK-UHFFFAOYSA-N
XLogP3.95
TPSA58.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.30
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [6-(2,3-dichlorophenyl)-3-(2-oxa-8-azaspiro[4.5]decan-8-yl)pyrazin-2-yl]methanol?
The IUPAC name of [6-(2,3-dichlorophenyl)-3-(2-oxa-8-azaspiro[4.5]decan-8-yl)pyrazin-2-yl]methanol (CID 138553348) is [6-(2,3-dichlorophenyl)-3-(2-oxa-8-azaspiro[4.5]decan-8-yl)pyrazin-2-yl]methanol.
What is the SMILES notation for [6-(2,3-dichlorophenyl)-3-(2-oxa-8-azaspiro[4.5]decan-8-yl)pyrazin-2-yl]methanol?
The canonical SMILES for [6-(2,3-dichlorophenyl)-3-(2-oxa-8-azaspiro[4.5]decan-8-yl)pyrazin-2-yl]methanol is OCc1nc(-c2cccc(Cl)c2Cl)cnc1N1CCC2(CCOC2)CC1.
What is the InChIKey of [6-(2,3-dichlorophenyl)-3-(2-oxa-8-azaspiro[4.5]decan-8-yl)pyrazin-2-yl]methanol?
The InChIKey is TXDLHJZUWAYBFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21Cl2N3O2/c20-14-3-1-2-13(17(14)21)15-10-22-18(16(11-25)23-15)24-7-4-19(5-8-24)6-9-26-12-19/h1-3,10,25H,4-9,11-12H2.
What are the key properties of [6-(2,3-dichlorophenyl)-3-(2-oxa-8-azaspiro[4.5]decan-8-yl)pyrazin-2-yl]methanol?
[6-(2,3-dichlorophenyl)-3-(2-oxa-8-azaspiro[4.5]decan-8-yl)pyrazin-2-yl]methanol has a molecular weight of 394.30 g/mol, XLogP of 3.95, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(2,3-dichlorophenyl)-3-(2-oxa-8-azaspiro[4.5]decan-8-yl)pyrazin-2-yl]methanol is sourced from PubChem (CID 138553348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).