4-(2,3,4,5-tetrahydropyridin-6-ylamino)phenol

C11H14N2O — CID 115018233

IUPAC4-(2,3,4,5-tetrahydropyridin-6-ylamino)phenol
SMILESOc1ccc(NC2=NCCCC2)cc1
InChIInChI=1S/C11H14N2O/c14-10-6-4-9(5-7-10)13-11-3-1-2-8-12-11/h4-7,14H,1-3,8H2,(H,12,13)
InChIKeyGJFPGZWDSQVHPM-UHFFFAOYSA-N
MW190.25 g/mol
LogP2.39
Rot. Bonds1

About 4-(2,3,4,5-tetrahydropyridin-6-ylamino)phenol

4-(2,3,4,5-tetrahydropyridin-6-ylamino)phenol (PubChem CID 115018233) has the molecular formula C11H14N2O and a molecular weight of 190.25 g/mol. Its IUPAC name is 4-(2,3,4,5-tetrahydropyridin-6-ylamino)phenol.

Molecular Properties

Compound Name4-(2,3,4,5-tetrahydropyridin-6-ylamino)phenol
PubChem CID115018233
Molecular FormulaC11H14N2O
Molecular Weight190.25 g/mol
Exact Mass190.11
IUPAC Name4-(2,3,4,5-tetrahydropyridin-6-ylamino)phenol
SMILESOc1ccc(NC2=NCCCC2)cc1
InChIInChI=1S/C11H14N2O/c14-10-6-4-9(5-7-10)13-11-3-1-2-8-12-11/h4-7,14H,1-3,8H2,(H,12,13)
InChIKeyGJFPGZWDSQVHPM-UHFFFAOYSA-N
XLogP2.39
TPSA44.62 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(2,3,4,5-tetrahydropyridin-6-ylamino)phenol?
The IUPAC name of 4-(2,3,4,5-tetrahydropyridin-6-ylamino)phenol (CID 115018233) is 4-(2,3,4,5-tetrahydropyridin-6-ylamino)phenol.
What is the SMILES notation for 4-(2,3,4,5-tetrahydropyridin-6-ylamino)phenol?
The canonical SMILES for 4-(2,3,4,5-tetrahydropyridin-6-ylamino)phenol is Oc1ccc(NC2=NCCCC2)cc1.
What is the InChIKey of 4-(2,3,4,5-tetrahydropyridin-6-ylamino)phenol?
The InChIKey is GJFPGZWDSQVHPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O/c14-10-6-4-9(5-7-10)13-11-3-1-2-8-12-11/h4-7,14H,1-3,8H2,(H,12,13).
What are the key properties of 4-(2,3,4,5-tetrahydropyridin-6-ylamino)phenol?
4-(2,3,4,5-tetrahydropyridin-6-ylamino)phenol has a molecular weight of 190.25 g/mol, XLogP of 2.39, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3,4,5-tetrahydropyridin-6-ylamino)phenol is sourced from PubChem (CID 115018233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).