1-(2-hydroxyethyl)-16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2,4,6,10,12,14-hexaen-9-ol

C17H17NO2 — CID 15628810

IUPAC1-(2-hydroxyethyl)-16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2,4,6,10,12,14-hexaen-9-ol
SMILESOCCC12NC(O)(Cc3ccccc31)c1ccccc12
InChIInChI=1S/C17H17NO2/c19-10-9-16-13-6-2-1-5-12(13)11-17(20,18-16)15-8-4-3-7-14(15)16/h1-8,18-20H,9-11H2
InChIKeyQEJHHBSUEZXFCZ-UHFFFAOYSA-N
MW267.33 g/mol
LogP1.62
Rot. Bonds2

About 1-(2-hydroxyethyl)-16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2,4,6,10,12,14-hexaen-9-ol

1-(2-hydroxyethyl)-16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2,4,6,10,12,14-hexaen-9-ol (PubChem CID 15628810) has the molecular formula C17H17NO2 and a molecular weight of 267.33 g/mol. Its IUPAC name is 1-(2-hydroxyethyl)-16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2,4,6,10,12,14-hexaen-9-ol.

Molecular Properties

Compound Name1-(2-hydroxyethyl)-16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2,4,6,10,12,14-hexaen-9-ol
PubChem CID15628810
Molecular FormulaC17H17NO2
Molecular Weight267.33 g/mol
Exact Mass267.13
IUPAC Name1-(2-hydroxyethyl)-16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2,4,6,10,12,14-hexaen-9-ol
SMILESOCCC12NC(O)(Cc3ccccc31)c1ccccc12
InChIInChI=1S/C17H17NO2/c19-10-9-16-13-6-2-1-5-12(13)11-17(20,18-16)15-8-4-3-7-14(15)16/h1-8,18-20H,9-11H2
InChIKeyQEJHHBSUEZXFCZ-UHFFFAOYSA-N
XLogP1.62
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 51.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxyethyl)-16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2,4,6,10,12,14-hexaen-9-ol?
The IUPAC name of 1-(2-hydroxyethyl)-16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2,4,6,10,12,14-hexaen-9-ol (CID 15628810) is 1-(2-hydroxyethyl)-16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2,4,6,10,12,14-hexaen-9-ol.
What is the SMILES notation for 1-(2-hydroxyethyl)-16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2,4,6,10,12,14-hexaen-9-ol?
The canonical SMILES for 1-(2-hydroxyethyl)-16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2,4,6,10,12,14-hexaen-9-ol is OCCC12NC(O)(Cc3ccccc31)c1ccccc12.
What is the InChIKey of 1-(2-hydroxyethyl)-16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2,4,6,10,12,14-hexaen-9-ol?
The InChIKey is QEJHHBSUEZXFCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO2/c19-10-9-16-13-6-2-1-5-12(13)11-17(20,18-16)15-8-4-3-7-14(15)16/h1-8,18-20H,9-11H2.
What are the key properties of 1-(2-hydroxyethyl)-16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2,4,6,10,12,14-hexaen-9-ol?
1-(2-hydroxyethyl)-16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2,4,6,10,12,14-hexaen-9-ol has a molecular weight of 267.33 g/mol, XLogP of 1.62, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyethyl)-16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2,4,6,10,12,14-hexaen-9-ol is sourced from PubChem (CID 15628810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).