(1-methyl-16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2(7),3,5,10,12,14-hexaen-4-yl)methanol

C17H17NO — CID 15628573

IUPAC(1-methyl-16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2(7),3,5,10,12,14-hexaen-4-yl)methanol
SMILESCC12NC(Cc3ccc(CO)cc31)c1ccccc12
InChIInChI=1S/C17H17NO/c1-17-14-5-3-2-4-13(14)16(18-17)9-12-7-6-11(10-19)8-15(12)17/h2-8,16,18-19H,9-10H2,1H3
InChIKeyMGHQMHINCTWWNB-UHFFFAOYSA-N
MW251.33 g/mol
LogP2.64
Rot. Bonds1

About (1-methyl-16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2(7),3,5,10,12,14-hexaen-4-yl)methanol

(1-methyl-16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2(7),3,5,10,12,14-hexaen-4-yl)methanol (PubChem CID 15628573) has the molecular formula C17H17NO and a molecular weight of 251.33 g/mol. Its IUPAC name is (1-methyl-16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2(7),3,5,10,12,14-hexaen-4-yl)methanol.

Molecular Properties

Compound Name(1-methyl-16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2(7),3,5,10,12,14-hexaen-4-yl)methanol
PubChem CID15628573
Molecular FormulaC17H17NO
Molecular Weight251.33 g/mol
Exact Mass251.13
IUPAC Name(1-methyl-16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2(7),3,5,10,12,14-hexaen-4-yl)methanol
SMILESCC12NC(Cc3ccc(CO)cc31)c1ccccc12
InChIInChI=1S/C17H17NO/c1-17-14-5-3-2-4-13(14)16(18-17)9-12-7-6-11(10-19)8-15(12)17/h2-8,16,18-19H,9-10H2,1H3
InChIKeyMGHQMHINCTWWNB-UHFFFAOYSA-N
XLogP2.64
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(16-Azatetracyclo[7.6.1.02,7.010,15]hexadeca-2,4,6,10,12,14-hexaen-1-yl)ethanol
CID 13192730
2-Hydroxy-5-methyl-10,11-dihydro-5H-dibenzo[a,d]cyclohepten-5,10-imine
CID 13194169
16-Azatetracyclo[7.6.1.02,7.010,15]hexadeca-2,4,6,10,12,14-hexaen-1-ylmethanol
CID 13928808
1-(2-Hydroxyethyl)-16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2,4,6,10,12,14-hexaen-9-ol
CID 15628810
1-Methyl-16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2,4,6,10,12,14-hexaen-9-ol
CID 19848656
(8S)-1-methyl-16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2,4,6,10,12,14-hexaen-8-ol
CID 11543213
(1R,8R,9S)-1-methyl-16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2,4,6,10,12,14-hexaen-8-ol
CID 14322179
2-(16-Azatetracyclo[7.6.1.02,7.010,15]hexadeca-2,4,6-trien-1-yl)ethanol
CID 15628817
(8R)-1-methyl-16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2,4,6-trien-8-ol
CID 44265976
1-(Methoxymethyl)-16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2,4,6,10,12,14-hexaene
CID 44266847
(1R,9S)-1,9-dimethyl-16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2,4,6,10,12,14-hexaen-8-ol
CID 44274980
1-[(1S)-16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2,4,6,10,12,14-hexaen-1-yl]ethane-1,2-diol
CID 44379310

Frequently Asked Questions

What is the IUPAC name of (1-methyl-16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2(7),3,5,10,12,14-hexaen-4-yl)methanol?
The IUPAC name of (1-methyl-16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2(7),3,5,10,12,14-hexaen-4-yl)methanol (CID 15628573) is (1-methyl-16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2(7),3,5,10,12,14-hexaen-4-yl)methanol.
What is the SMILES notation for (1-methyl-16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2(7),3,5,10,12,14-hexaen-4-yl)methanol?
The canonical SMILES for (1-methyl-16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2(7),3,5,10,12,14-hexaen-4-yl)methanol is CC12NC(Cc3ccc(CO)cc31)c1ccccc12.
What is the InChIKey of (1-methyl-16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2(7),3,5,10,12,14-hexaen-4-yl)methanol?
The InChIKey is MGHQMHINCTWWNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO/c1-17-14-5-3-2-4-13(14)16(18-17)9-12-7-6-11(10-19)8-15(12)17/h2-8,16,18-19H,9-10H2,1H3.
What are the key properties of (1-methyl-16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2(7),3,5,10,12,14-hexaen-4-yl)methanol?
(1-methyl-16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2(7),3,5,10,12,14-hexaen-4-yl)methanol has a molecular weight of 251.33 g/mol, XLogP of 2.64, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methyl-16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2(7),3,5,10,12,14-hexaen-4-yl)methanol is sourced from PubChem (CID 15628573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).