11-morpholin-4-yl-1,2,3,4,5,6,7,8,8a,12a-decahydro-1-benzazecin-9-ol

C17H28N2O2 — CID 134566377

IUPAC11-morpholin-4-yl-1,2,3,4,5,6,7,8,8a,12a-decahydro-1-benzazecin-9-ol
SMILESOC1=CC(N2CCOCC2)=CC2NCCCCCCCC12
InChIInChI=1S/C17H28N2O2/c20-17-13-14(19-8-10-21-11-9-19)12-16-15(17)6-4-2-1-3-5-7-18-16/h12-13,15-16,18,20H,1-11H2
InChIKeyCSMZFKNICQPXBV-UHFFFAOYSA-N
MW292.42 g/mol
LogP2.59
Rot. Bonds1

About 11-morpholin-4-yl-1,2,3,4,5,6,7,8,8a,12a-decahydro-1-benzazecin-9-ol

11-morpholin-4-yl-1,2,3,4,5,6,7,8,8a,12a-decahydro-1-benzazecin-9-ol (PubChem CID 134566377) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is 11-morpholin-4-yl-1,2,3,4,5,6,7,8,8a,12a-decahydro-1-benzazecin-9-ol.

Molecular Properties

Compound Name11-morpholin-4-yl-1,2,3,4,5,6,7,8,8a,12a-decahydro-1-benzazecin-9-ol
PubChem CID134566377
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC Name11-morpholin-4-yl-1,2,3,4,5,6,7,8,8a,12a-decahydro-1-benzazecin-9-ol
SMILESOC1=CC(N2CCOCC2)=CC2NCCCCCCCC12
InChIInChI=1S/C17H28N2O2/c20-17-13-14(19-8-10-21-11-9-19)12-16-15(17)6-4-2-1-3-5-7-18-16/h12-13,15-16,18,20H,1-11H2
InChIKeyCSMZFKNICQPXBV-UHFFFAOYSA-N
XLogP2.59
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 11-morpholin-4-yl-1,2,3,4,5,6,7,8,8a,12a-decahydro-1-benzazecin-9-ol?
The IUPAC name of 11-morpholin-4-yl-1,2,3,4,5,6,7,8,8a,12a-decahydro-1-benzazecin-9-ol (CID 134566377) is 11-morpholin-4-yl-1,2,3,4,5,6,7,8,8a,12a-decahydro-1-benzazecin-9-ol.
What is the SMILES notation for 11-morpholin-4-yl-1,2,3,4,5,6,7,8,8a,12a-decahydro-1-benzazecin-9-ol?
The canonical SMILES for 11-morpholin-4-yl-1,2,3,4,5,6,7,8,8a,12a-decahydro-1-benzazecin-9-ol is OC1=CC(N2CCOCC2)=CC2NCCCCCCCC12.
What is the InChIKey of 11-morpholin-4-yl-1,2,3,4,5,6,7,8,8a,12a-decahydro-1-benzazecin-9-ol?
The InChIKey is CSMZFKNICQPXBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c20-17-13-14(19-8-10-21-11-9-19)12-16-15(17)6-4-2-1-3-5-7-18-16/h12-13,15-16,18,20H,1-11H2.
What are the key properties of 11-morpholin-4-yl-1,2,3,4,5,6,7,8,8a,12a-decahydro-1-benzazecin-9-ol?
11-morpholin-4-yl-1,2,3,4,5,6,7,8,8a,12a-decahydro-1-benzazecin-9-ol has a molecular weight of 292.42 g/mol, XLogP of 2.59, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 11-morpholin-4-yl-1,2,3,4,5,6,7,8,8a,12a-decahydro-1-benzazecin-9-ol is sourced from PubChem (CID 134566377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).