1-methyl-10-azatetracyclo[10.2.2.02,7.09,14]hexadeca-2(7),3,5-trien-4-ol

C16H21NO — CID 12880322

IUPAC1-methyl-10-azatetracyclo[10.2.2.02,7.09,14]hexadeca-2(7),3,5-trien-4-ol
SMILESCC12CCC3CNC(Cc4ccc(O)cc41)C2C3
InChIInChI=1S/C16H21NO/c1-16-5-4-10-6-14(16)15(17-9-10)7-11-2-3-12(18)8-13(11)16/h2-3,8,10,14-15,17-18H,4-7,9H2,1H3
InChIKeyFJGNCZKTRAIBNC-UHFFFAOYSA-N
MW243.35 g/mol
LogP2.59
Rot. Bonds

About 1-methyl-10-azatetracyclo[10.2.2.02,7.09,14]hexadeca-2(7),3,5-trien-4-ol

1-methyl-10-azatetracyclo[10.2.2.02,7.09,14]hexadeca-2(7),3,5-trien-4-ol (PubChem CID 12880322) has the molecular formula C16H21NO and a molecular weight of 243.35 g/mol. Its IUPAC name is 1-methyl-10-azatetracyclo[10.2.2.02,7.09,14]hexadeca-2(7),3,5-trien-4-ol.

Molecular Properties

Compound Name1-methyl-10-azatetracyclo[10.2.2.02,7.09,14]hexadeca-2(7),3,5-trien-4-ol
PubChem CID12880322
Molecular FormulaC16H21NO
Molecular Weight243.35 g/mol
Exact Mass243.16
IUPAC Name1-methyl-10-azatetracyclo[10.2.2.02,7.09,14]hexadeca-2(7),3,5-trien-4-ol
SMILESCC12CCC3CNC(Cc4ccc(O)cc41)C2C3
InChIInChI=1S/C16H21NO/c1-16-5-4-10-6-14(16)15(17-9-10)7-11-2-3-12(18)8-13(11)16/h2-3,8,10,14-15,17-18H,4-7,9H2,1H3
InChIKeyFJGNCZKTRAIBNC-UHFFFAOYSA-N
XLogP2.59
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-methyl-10-azatetracyclo[10.2.2.02,7.09,14]hexadeca-2(7),3,5-trien-4-ol with MolForge

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Related Compounds

(1R,13S)-1-methyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-4,13-diol
CID 90679265
(1S,9R,13S)-1,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-ol
CID 124562991
(4aR,10aS)-5,5-dimethyl-2,3,4,4a,10,10a-hexahydro-1H-benzo[g]quinolin-7-ol
CID 86733867
1-methyl-10-(2-phenylethyl)-10-azatetracyclo[10.2.2.02,7.09,14]hexadeca-2(7),3,5-trien-4-ol
CID 12880328
(1R)-1-methyl-10-(2-phenylethyl)-10-azatetracyclo[10.2.2.02,7.09,14]hexadeca-2(7),3,5-trien-4-ol
CID 12880330
(2aR,8bR)-8b-methyl-3-[methyl(3-methylbut-2-enyl)amino]-2,2a,3,4-tetrahydro-1H-cyclobuta[a]naphthalen-7-ol
CID 155072750
(1R)-1-methyl-11-azatricyclo[7.4.1.02,7]tetradeca-2(7),3,5-trien-4-ol
CID 3058308
1-methyl-11-azatricyclo[7.4.1.02,7]tetradeca-2(7),3,5-trien-4-ol;hydrobromide
CID 20834073
(1R,9R,15R)-15-amino-1-methyltricyclo[7.5.1.02,7]pentadeca-2(7),3,5-trien-4-ol;hydrochloride
CID 71577923
(1S,9S,15R)-15-amino-1-methyl-12-oxatricyclo[7.5.1.02,7]pentadeca-2(7),3,5-trien-4-ol
CID 139492274
(1R,15S)-15-(dimethylamino)-1-methyltricyclo[7.5.1.02,7]pentadeca-2(7),3,5-trien-4-ol
CID 70637689
(1R,9R,10R)-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5,11-tetraen-4-ol
CID 67605072

Frequently Asked Questions

What is the IUPAC name of 1-methyl-10-azatetracyclo[10.2.2.02,7.09,14]hexadeca-2(7),3,5-trien-4-ol?
The IUPAC name of 1-methyl-10-azatetracyclo[10.2.2.02,7.09,14]hexadeca-2(7),3,5-trien-4-ol (CID 12880322) is 1-methyl-10-azatetracyclo[10.2.2.02,7.09,14]hexadeca-2(7),3,5-trien-4-ol.
What is the SMILES notation for 1-methyl-10-azatetracyclo[10.2.2.02,7.09,14]hexadeca-2(7),3,5-trien-4-ol?
The canonical SMILES for 1-methyl-10-azatetracyclo[10.2.2.02,7.09,14]hexadeca-2(7),3,5-trien-4-ol is CC12CCC3CNC(Cc4ccc(O)cc41)C2C3.
What is the InChIKey of 1-methyl-10-azatetracyclo[10.2.2.02,7.09,14]hexadeca-2(7),3,5-trien-4-ol?
The InChIKey is FJGNCZKTRAIBNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO/c1-16-5-4-10-6-14(16)15(17-9-10)7-11-2-3-12(18)8-13(11)16/h2-3,8,10,14-15,17-18H,4-7,9H2,1H3.
What are the key properties of 1-methyl-10-azatetracyclo[10.2.2.02,7.09,14]hexadeca-2(7),3,5-trien-4-ol?
1-methyl-10-azatetracyclo[10.2.2.02,7.09,14]hexadeca-2(7),3,5-trien-4-ol has a molecular weight of 243.35 g/mol, XLogP of 2.59, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-10-azatetracyclo[10.2.2.02,7.09,14]hexadeca-2(7),3,5-trien-4-ol is sourced from PubChem (CID 12880322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).