5-cyclohexyl-1,2,3,4-tetrahydro-1,5-benzodiazepin-2-ol

C15H22N2O — CID 145262182

IUPAC5-cyclohexyl-1,2,3,4-tetrahydro-1,5-benzodiazepin-2-ol
SMILESOC1CCN(C2CCCCC2)c2ccccc2N1
InChIInChI=1S/C15H22N2O/c18-15-10-11-17(12-6-2-1-3-7-12)14-9-5-4-8-13(14)16-15/h4-5,8-9,12,15-16,18H,1-3,6-7,10-11H2
InChIKeyNWMQATDRWXMYQG-UHFFFAOYSA-N
MW246.35 g/mol
LogP2.96
Rot. Bonds1

About 5-cyclohexyl-1,2,3,4-tetrahydro-1,5-benzodiazepin-2-ol

5-cyclohexyl-1,2,3,4-tetrahydro-1,5-benzodiazepin-2-ol (PubChem CID 145262182) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 5-cyclohexyl-1,2,3,4-tetrahydro-1,5-benzodiazepin-2-ol.

Molecular Properties

Compound Name5-cyclohexyl-1,2,3,4-tetrahydro-1,5-benzodiazepin-2-ol
PubChem CID145262182
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name5-cyclohexyl-1,2,3,4-tetrahydro-1,5-benzodiazepin-2-ol
SMILESOC1CCN(C2CCCCC2)c2ccccc2N1
InChIInChI=1S/C15H22N2O/c18-15-10-11-17(12-6-2-1-3-7-12)14-9-5-4-8-13(14)16-15/h4-5,8-9,12,15-16,18H,1-3,6-7,10-11H2
InChIKeyNWMQATDRWXMYQG-UHFFFAOYSA-N
XLogP2.96
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-cyclohexyl-1,2,3,4-tetrahydro-1,5-benzodiazepin-2-ol?
The IUPAC name of 5-cyclohexyl-1,2,3,4-tetrahydro-1,5-benzodiazepin-2-ol (CID 145262182) is 5-cyclohexyl-1,2,3,4-tetrahydro-1,5-benzodiazepin-2-ol.
What is the SMILES notation for 5-cyclohexyl-1,2,3,4-tetrahydro-1,5-benzodiazepin-2-ol?
The canonical SMILES for 5-cyclohexyl-1,2,3,4-tetrahydro-1,5-benzodiazepin-2-ol is OC1CCN(C2CCCCC2)c2ccccc2N1.
What is the InChIKey of 5-cyclohexyl-1,2,3,4-tetrahydro-1,5-benzodiazepin-2-ol?
The InChIKey is NWMQATDRWXMYQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c18-15-10-11-17(12-6-2-1-3-7-12)14-9-5-4-8-13(14)16-15/h4-5,8-9,12,15-16,18H,1-3,6-7,10-11H2.
What are the key properties of 5-cyclohexyl-1,2,3,4-tetrahydro-1,5-benzodiazepin-2-ol?
5-cyclohexyl-1,2,3,4-tetrahydro-1,5-benzodiazepin-2-ol has a molecular weight of 246.35 g/mol, XLogP of 2.96, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclohexyl-1,2,3,4-tetrahydro-1,5-benzodiazepin-2-ol is sourced from PubChem (CID 145262182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).