(1R,8R,9S)-1-methyl-16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2,4,6,10,12,14-hexaen-8-ol

C16H15NO — CID 14322179

IUPAC(1R,8R,9S)-1-methyl-16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2,4,6,10,12,14-hexaen-8-ol
SMILESC[C@@]12N[C@@H](c3ccccc31)[C@H](O)c1ccccc12
InChIInChI=1S/C16H15NO/c1-16-12-8-4-2-6-10(12)14(17-16)15(18)11-7-3-5-9-13(11)16/h2-9,14-15,17-18H,1H3/t14-,15+,16+/m0/s1
InChIKeyICNAEBGGDVSIIR-ARFHVFGLSA-N
MW237.30 g/mol
LogP2.64
Rot. Bonds

About (1R,8R,9S)-1-methyl-16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2,4,6,10,12,14-hexaen-8-ol

(1R,8R,9S)-1-methyl-16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2,4,6,10,12,14-hexaen-8-ol (PubChem CID 14322179) has the molecular formula C16H15NO and a molecular weight of 237.30 g/mol. Its IUPAC name is (1R,8R,9S)-1-methyl-16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2,4,6,10,12,14-hexaen-8-ol.

Molecular Properties

Compound Name(1R,8R,9S)-1-methyl-16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2,4,6,10,12,14-hexaen-8-ol
PubChem CID14322179
Molecular FormulaC16H15NO
Molecular Weight237.30 g/mol
Exact Mass237.12
IUPAC Name(1R,8R,9S)-1-methyl-16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2,4,6,10,12,14-hexaen-8-ol
SMILESC[C@@]12N[C@@H](c3ccccc31)[C@H](O)c1ccccc12
InChIInChI=1S/C16H15NO/c1-16-12-8-4-2-6-10(12)14(17-16)15(18)11-7-3-5-9-13(11)16/h2-9,14-15,17-18H,1H3/t14-,15+,16+/m0/s1
InChIKeyICNAEBGGDVSIIR-ARFHVFGLSA-N
XLogP2.64
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1R,8R,9S)-1-methyl-16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2,4,6,10,12,14-hexaen-8-ol?
The IUPAC name of (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) is (1R,8R,9S)-1-methyl-16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2,4,6,10,12,14-hexaen-8-ol.
What is the SMILES notation for (1R,8R,9S)-1-methyl-16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2,4,6,10,12,14-hexaen-8-ol?
The canonical SMILES for (1R,8R,9S)-1-methyl-16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2,4,6,10,12,14-hexaen-8-ol is C[C@@]12N[C@@H](c3ccccc31)[C@H](O)c1ccccc12.
What is the InChIKey of (1R,8R,9S)-1-methyl-16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2,4,6,10,12,14-hexaen-8-ol?
The InChIKey is ICNAEBGGDVSIIR-ARFHVFGLSA-N. The full InChI is InChI=1S/C16H15NO/c1-16-12-8-4-2-6-10(12)14(17-16)15(18)11-7-3-5-9-13(11)16/h2-9,14-15,17-18H,1H3/t14-,15+,16+/m0/s1.
What are the key properties of (1R,8R,9S)-1-methyl-16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2,4,6,10,12,14-hexaen-8-ol?
(1R,8R,9S)-1-methyl-16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2,4,6,10,12,14-hexaen-8-ol has a molecular weight of 237.30 g/mol, XLogP of 2.64, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,8R,9S)-1-methyl-16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2,4,6,10,12,14-hexaen-8-ol is sourced from PubChem (CID 14322179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).