1-(2-fluorophenyl)-4-(2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl)piperidin-4-ol

C20H23FN2O2 — CID 118760126

IUPAC1-(2-fluorophenyl)-4-(2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl)piperidin-4-ol
SMILESOC1(c2ccc3c(c2)CNCCO3)CCN(c2ccccc2F)CC1
InChIInChI=1S/C20H23FN2O2/c21-17-3-1-2-4-18(17)23-10-7-20(24,8-11-23)16-5-6-19-15(13-16)14-22-9-12-25-19/h1-6,13,22,24H,7-12,14H2
InChIKeyRIWNUKRJSUIJGM-UHFFFAOYSA-N
MW342.41 g/mol
LogP2.80
Rot. Bonds2

About 1-(2-fluorophenyl)-4-(2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl)piperidin-4-ol

1-(2-fluorophenyl)-4-(2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl)piperidin-4-ol (PubChem CID 118760126) has the molecular formula C20H23FN2O2 and a molecular weight of 342.41 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-4-(2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl)piperidin-4-ol.

Molecular Properties

Compound Name1-(2-fluorophenyl)-4-(2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl)piperidin-4-ol
PubChem CID118760126
Molecular FormulaC20H23FN2O2
Molecular Weight342.41 g/mol
Exact Mass342.17
IUPAC Name1-(2-fluorophenyl)-4-(2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl)piperidin-4-ol
SMILESOC1(c2ccc3c(c2)CNCCO3)CCN(c2ccccc2F)CC1
InChIInChI=1S/C20H23FN2O2/c21-17-3-1-2-4-18(17)23-10-7-20(24,8-11-23)16-5-6-19-15(13-16)14-22-9-12-25-19/h1-6,13,22,24H,7-12,14H2
InChIKeyRIWNUKRJSUIJGM-UHFFFAOYSA-N
XLogP2.80
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.41
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-4-(2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl)piperidin-4-ol?
The IUPAC name of 1-(2-fluorophenyl)-4-(2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl)piperidin-4-ol (CID 118760126) is 1-(2-fluorophenyl)-4-(2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl)piperidin-4-ol.
What is the SMILES notation for 1-(2-fluorophenyl)-4-(2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl)piperidin-4-ol?
The canonical SMILES for 1-(2-fluorophenyl)-4-(2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl)piperidin-4-ol is OC1(c2ccc3c(c2)CNCCO3)CCN(c2ccccc2F)CC1.
What is the InChIKey of 1-(2-fluorophenyl)-4-(2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl)piperidin-4-ol?
The InChIKey is RIWNUKRJSUIJGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2O2/c21-17-3-1-2-4-18(17)23-10-7-20(24,8-11-23)16-5-6-19-15(13-16)14-22-9-12-25-19/h1-6,13,22,24H,7-12,14H2.
What are the key properties of 1-(2-fluorophenyl)-4-(2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl)piperidin-4-ol?
1-(2-fluorophenyl)-4-(2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl)piperidin-4-ol has a molecular weight of 342.41 g/mol, XLogP of 2.80, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-4-(2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl)piperidin-4-ol is sourced from PubChem (CID 118760126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).