6-(1,3,4,5-tetrahydro-2-benzazepin-2-ylmethyl)pyridin-3-ol

C16H18N2O — CID 82979220

IUPAC6-(1,3,4,5-tetrahydro-2-benzazepin-2-ylmethyl)pyridin-3-ol
SMILESOc1ccc(CN2CCCc3ccccc3C2)nc1
InChIInChI=1S/C16H18N2O/c19-16-8-7-15(17-10-16)12-18-9-3-6-13-4-1-2-5-14(13)11-18/h1-2,4-5,7-8,10,19H,3,6,9,11-12H2
InChIKeyBJYYMTKKZUFTKZ-UHFFFAOYSA-N
MW254.33 g/mol
LogP2.74
Rot. Bonds2

About 6-(1,3,4,5-tetrahydro-2-benzazepin-2-ylmethyl)pyridin-3-ol

6-(1,3,4,5-tetrahydro-2-benzazepin-2-ylmethyl)pyridin-3-ol (PubChem CID 82979220) has the molecular formula C16H18N2O and a molecular weight of 254.33 g/mol. Its IUPAC name is 6-(1,3,4,5-tetrahydro-2-benzazepin-2-ylmethyl)pyridin-3-ol.

Molecular Properties

Compound Name6-(1,3,4,5-tetrahydro-2-benzazepin-2-ylmethyl)pyridin-3-ol
PubChem CID82979220
Molecular FormulaC16H18N2O
Molecular Weight254.33 g/mol
Exact Mass254.14
IUPAC Name6-(1,3,4,5-tetrahydro-2-benzazepin-2-ylmethyl)pyridin-3-ol
SMILESOc1ccc(CN2CCCc3ccccc3C2)nc1
InChIInChI=1S/C16H18N2O/c19-16-8-7-15(17-10-16)12-18-9-3-6-13-4-1-2-5-14(13)11-18/h1-2,4-5,7-8,10,19H,3,6,9,11-12H2
InChIKeyBJYYMTKKZUFTKZ-UHFFFAOYSA-N
XLogP2.74
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(1,3,4,5-tetrahydro-2-benzazepin-2-ylmethyl)pyridin-3-ol?
The IUPAC name of 6-(1,3,4,5-tetrahydro-2-benzazepin-2-ylmethyl)pyridin-3-ol (CID 82979220) is 6-(1,3,4,5-tetrahydro-2-benzazepin-2-ylmethyl)pyridin-3-ol.
What is the SMILES notation for 6-(1,3,4,5-tetrahydro-2-benzazepin-2-ylmethyl)pyridin-3-ol?
The canonical SMILES for 6-(1,3,4,5-tetrahydro-2-benzazepin-2-ylmethyl)pyridin-3-ol is Oc1ccc(CN2CCCc3ccccc3C2)nc1.
What is the InChIKey of 6-(1,3,4,5-tetrahydro-2-benzazepin-2-ylmethyl)pyridin-3-ol?
The InChIKey is BJYYMTKKZUFTKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O/c19-16-8-7-15(17-10-16)12-18-9-3-6-13-4-1-2-5-14(13)11-18/h1-2,4-5,7-8,10,19H,3,6,9,11-12H2.
What are the key properties of 6-(1,3,4,5-tetrahydro-2-benzazepin-2-ylmethyl)pyridin-3-ol?
6-(1,3,4,5-tetrahydro-2-benzazepin-2-ylmethyl)pyridin-3-ol has a molecular weight of 254.33 g/mol, XLogP of 2.74, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,3,4,5-tetrahydro-2-benzazepin-2-ylmethyl)pyridin-3-ol is sourced from PubChem (CID 82979220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).