7-[4-(dimethylamino)phenyl]-9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol

C16H24N2O2 — CID 171960411

IUPAC7-[4-(dimethylamino)phenyl]-9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol
SMILESCN(C)c1ccc(C2(O)CC3COCC(C2)N3C)cc1
InChIInChI=1S/C16H24N2O2/c1-17(2)13-6-4-12(5-7-13)16(19)8-14-10-20-11-15(9-16)18(14)3/h4-7,14-15,19H,8-11H2,1-3H3
InChIKeyCBLZVGIMXCCGNA-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.43
Rot. Bonds2

About 7-[4-(dimethylamino)phenyl]-9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol

7-[4-(dimethylamino)phenyl]-9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol (PubChem CID 171960411) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 7-[4-(dimethylamino)phenyl]-9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol.

Molecular Properties

Compound Name7-[4-(dimethylamino)phenyl]-9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol
PubChem CID171960411
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name7-[4-(dimethylamino)phenyl]-9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol
SMILESCN(C)c1ccc(C2(O)CC3COCC(C2)N3C)cc1
InChIInChI=1S/C16H24N2O2/c1-17(2)13-6-4-12(5-7-13)16(19)8-14-10-20-11-15(9-16)18(14)3/h4-7,14-15,19H,8-11H2,1-3H3
InChIKeyCBLZVGIMXCCGNA-UHFFFAOYSA-N
XLogP1.43
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-[4-(dimethylamino)phenyl]-9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol?
The IUPAC name of 7-[4-(dimethylamino)phenyl]-9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol (CID 171960411) is 7-[4-(dimethylamino)phenyl]-9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol.
What is the SMILES notation for 7-[4-(dimethylamino)phenyl]-9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol?
The canonical SMILES for 7-[4-(dimethylamino)phenyl]-9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol is CN(C)c1ccc(C2(O)CC3COCC(C2)N3C)cc1.
What is the InChIKey of 7-[4-(dimethylamino)phenyl]-9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol?
The InChIKey is CBLZVGIMXCCGNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-17(2)13-6-4-12(5-7-13)16(19)8-14-10-20-11-15(9-16)18(14)3/h4-7,14-15,19H,8-11H2,1-3H3.
What are the key properties of 7-[4-(dimethylamino)phenyl]-9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol?
7-[4-(dimethylamino)phenyl]-9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol has a molecular weight of 276.38 g/mol, XLogP of 1.43, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-(dimethylamino)phenyl]-9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol is sourced from PubChem (CID 171960411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).