1,10-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-trien-8-ol

C14H19NO — CID 3057350

IUPAC1,10-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-trien-8-ol
SMILESCN1CCC2(C)CC1C(O)c1ccccc12
InChIInChI=1S/C14H19NO/c1-14-7-8-15(2)12(9-14)13(16)10-5-3-4-6-11(10)14/h3-6,12-13,16H,7-9H2,1-2H3
InChIKeyXOKVWXOJBKCDAF-UHFFFAOYSA-N
MW217.31 g/mol
LogP2.09
Rot. Bonds

About 1,10-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-trien-8-ol

1,10-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-trien-8-ol (PubChem CID 3057350) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is 1,10-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-trien-8-ol.

Molecular Properties

Compound Name1,10-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-trien-8-ol
PubChem CID3057350
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name1,10-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-trien-8-ol
SMILESCN1CCC2(C)CC1C(O)c1ccccc12
InChIInChI=1S/C14H19NO/c1-14-7-8-15(2)12(9-14)13(16)10-5-3-4-6-11(10)14/h3-6,12-13,16H,7-9H2,1-2H3
InChIKeyXOKVWXOJBKCDAF-UHFFFAOYSA-N
XLogP2.09
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1'-(2-phenylethyl)spiro[3,4-dihydro-1H-naphthalene-2,4'-piperidine]-1-ol
CID 3083481
Benzovesamicol
CID 15925918
(2R,3R)-3-spiro[indene-1,4'-piperidine]-1'-yl-1,2,3,4-tetrahydronaphthalen-2-ol
CID 9862398
(1S,9R,13R)-10-[(2S)-2-methoxypropyl]-1,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-ol
CID 44330764
(1R,9R,13R)-10-[(2S)-2-hydroxy-2-phenylethyl]-1,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-ol
CID 132609310
3-(4-Phenyl-piperidin-1-yl)-1,2,3,4-tetrahydro-naphthalen-2-ol
CID 15925916
1-[(1R,9R,10R)-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-4-yl]ethanol;hydrochloride
CID 22822661
(1S,9R)-10-[(2R)-2-methoxypropyl]-1,13,13-trimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-ol
CID 9796469
(2R,3R)-3-spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1'-yl-1,2,3,4-tetrahydronaphthalen-2-ol
CID 10450381
(1S,9R)-10-[(2S)-2-methoxypropyl]-1,13,13-trimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-ol
CID 10709577
(1S,9R,13S)-10-[(2R)-2-methoxybutyl]-1,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-ol
CID 44330535
(1S,9R,13S)-10-[(2S)-2-methoxybutyl]-1,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-ol
CID 44330579

Frequently Asked Questions

What is the IUPAC name of 1,10-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-trien-8-ol?
The IUPAC name of 1,10-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-trien-8-ol (CID 3057350) is 1,10-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-trien-8-ol.
What is the SMILES notation for 1,10-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-trien-8-ol?
The canonical SMILES for 1,10-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-trien-8-ol is CN1CCC2(C)CC1C(O)c1ccccc12.
What is the InChIKey of 1,10-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-trien-8-ol?
The InChIKey is XOKVWXOJBKCDAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO/c1-14-7-8-15(2)12(9-14)13(16)10-5-3-4-6-11(10)14/h3-6,12-13,16H,7-9H2,1-2H3.
What are the key properties of 1,10-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-trien-8-ol?
1,10-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-trien-8-ol has a molecular weight of 217.31 g/mol, XLogP of 2.09, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,10-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-trien-8-ol is sourced from PubChem (CID 3057350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).