4-(3,6-dimethylpyrazin-2-yl)-2-[(2-ethylpiperidin-1-yl)methyl]phenol

C20H27N3O — CID 135914453

IUPAC4-(3,6-dimethylpyrazin-2-yl)-2-[(2-ethylpiperidin-1-yl)methyl]phenol
SMILESCCC1CCCCN1Cc1cc(-c2nc(C)cnc2C)ccc1O
InChIInChI=1S/C20H27N3O/c1-4-18-7-5-6-10-23(18)13-17-11-16(8-9-19(17)24)20-15(3)21-12-14(2)22-20/h8-9,11-12,18,24H,4-7,10,13H2,1-3H3
InChIKeyFODYTSYRVHIWNM-UHFFFAOYSA-N
MW325.46 g/mol
LogP4.23
Rot. Bonds4

About 4-(3,6-dimethylpyrazin-2-yl)-2-[(2-ethylpiperidin-1-yl)methyl]phenol

4-(3,6-dimethylpyrazin-2-yl)-2-[(2-ethylpiperidin-1-yl)methyl]phenol (PubChem CID 135914453) has the molecular formula C20H27N3O and a molecular weight of 325.46 g/mol. Its IUPAC name is 4-(3,6-dimethylpyrazin-2-yl)-2-[(2-ethylpiperidin-1-yl)methyl]phenol.

Molecular Properties

Compound Name4-(3,6-dimethylpyrazin-2-yl)-2-[(2-ethylpiperidin-1-yl)methyl]phenol
PubChem CID135914453
Molecular FormulaC20H27N3O
Molecular Weight325.46 g/mol
Exact Mass325.22
IUPAC Name4-(3,6-dimethylpyrazin-2-yl)-2-[(2-ethylpiperidin-1-yl)methyl]phenol
SMILESCCC1CCCCN1Cc1cc(-c2nc(C)cnc2C)ccc1O
InChIInChI=1S/C20H27N3O/c1-4-18-7-5-6-10-23(18)13-17-11-16(8-9-19(17)24)20-15(3)21-12-14(2)22-20/h8-9,11-12,18,24H,4-7,10,13H2,1-3H3
InChIKeyFODYTSYRVHIWNM-UHFFFAOYSA-N
XLogP4.23
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.46
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(3,6-dimethylpyrazin-2-yl)-2-[(2-ethylpiperidin-1-yl)methyl]phenol?
The IUPAC name of 4-(3,6-dimethylpyrazin-2-yl)-2-[(2-ethylpiperidin-1-yl)methyl]phenol (CID 135914453) is 4-(3,6-dimethylpyrazin-2-yl)-2-[(2-ethylpiperidin-1-yl)methyl]phenol.
What is the SMILES notation for 4-(3,6-dimethylpyrazin-2-yl)-2-[(2-ethylpiperidin-1-yl)methyl]phenol?
The canonical SMILES for 4-(3,6-dimethylpyrazin-2-yl)-2-[(2-ethylpiperidin-1-yl)methyl]phenol is CCC1CCCCN1Cc1cc(-c2nc(C)cnc2C)ccc1O.
What is the InChIKey of 4-(3,6-dimethylpyrazin-2-yl)-2-[(2-ethylpiperidin-1-yl)methyl]phenol?
The InChIKey is FODYTSYRVHIWNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O/c1-4-18-7-5-6-10-23(18)13-17-11-16(8-9-19(17)24)20-15(3)21-12-14(2)22-20/h8-9,11-12,18,24H,4-7,10,13H2,1-3H3.
What are the key properties of 4-(3,6-dimethylpyrazin-2-yl)-2-[(2-ethylpiperidin-1-yl)methyl]phenol?
4-(3,6-dimethylpyrazin-2-yl)-2-[(2-ethylpiperidin-1-yl)methyl]phenol has a molecular weight of 325.46 g/mol, XLogP of 4.23, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,6-dimethylpyrazin-2-yl)-2-[(2-ethylpiperidin-1-yl)methyl]phenol is sourced from PubChem (CID 135914453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).