2-[(4-pyrazin-2-yloxyphenyl)methylamino]cyclohexan-1-ol

C17H21N3O2 — CID 111478378

IUPAC2-[(4-pyrazin-2-yloxyphenyl)methylamino]cyclohexan-1-ol
SMILESOC1CCCCC1NCc1ccc(Oc2cnccn2)cc1
InChIInChI=1S/C17H21N3O2/c21-16-4-2-1-3-15(16)20-11-13-5-7-14(8-6-13)22-17-12-18-9-10-19-17/h5-10,12,15-16,20-21H,1-4,11H2
InChIKeyAAQPMXVOEQWCEP-UHFFFAOYSA-N
MW299.37 g/mol
LogP2.66
Rot. Bonds5

About 2-[(4-pyrazin-2-yloxyphenyl)methylamino]cyclohexan-1-ol

2-[(4-pyrazin-2-yloxyphenyl)methylamino]cyclohexan-1-ol (PubChem CID 111478378) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is 2-[(4-pyrazin-2-yloxyphenyl)methylamino]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[(4-pyrazin-2-yloxyphenyl)methylamino]cyclohexan-1-ol
PubChem CID111478378
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC Name2-[(4-pyrazin-2-yloxyphenyl)methylamino]cyclohexan-1-ol
SMILESOC1CCCCC1NCc1ccc(Oc2cnccn2)cc1
InChIInChI=1S/C17H21N3O2/c21-16-4-2-1-3-15(16)20-11-13-5-7-14(8-6-13)22-17-12-18-9-10-19-17/h5-10,12,15-16,20-21H,1-4,11H2
InChIKeyAAQPMXVOEQWCEP-UHFFFAOYSA-N
XLogP2.66
TPSA67.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-pyrazin-2-yloxyphenyl)methylamino]cyclohexan-1-ol?
The IUPAC name of 2-[(4-pyrazin-2-yloxyphenyl)methylamino]cyclohexan-1-ol (CID 111478378) is 2-[(4-pyrazin-2-yloxyphenyl)methylamino]cyclohexan-1-ol.
What is the SMILES notation for 2-[(4-pyrazin-2-yloxyphenyl)methylamino]cyclohexan-1-ol?
The canonical SMILES for 2-[(4-pyrazin-2-yloxyphenyl)methylamino]cyclohexan-1-ol is OC1CCCCC1NCc1ccc(Oc2cnccn2)cc1.
What is the InChIKey of 2-[(4-pyrazin-2-yloxyphenyl)methylamino]cyclohexan-1-ol?
The InChIKey is AAQPMXVOEQWCEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2/c21-16-4-2-1-3-15(16)20-11-13-5-7-14(8-6-13)22-17-12-18-9-10-19-17/h5-10,12,15-16,20-21H,1-4,11H2.
What are the key properties of 2-[(4-pyrazin-2-yloxyphenyl)methylamino]cyclohexan-1-ol?
2-[(4-pyrazin-2-yloxyphenyl)methylamino]cyclohexan-1-ol has a molecular weight of 299.37 g/mol, XLogP of 2.66, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-pyrazin-2-yloxyphenyl)methylamino]cyclohexan-1-ol is sourced from PubChem (CID 111478378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).