2-benzyl-2-azatricyclo[3.3.1.13,7]decan-1-ol

C16H21NO — CID 56665110

IUPAC2-benzyl-2-azatricyclo[3.3.1.13,7]decan-1-ol
SMILESOC12CC3CC(CC(C3)N1Cc1ccccc1)C2
InChIInChI=1S/C16H21NO/c18-16-9-13-6-14(10-16)8-15(7-13)17(16)11-12-4-2-1-3-5-12/h1-5,13-15,18H,6-11H2
InChIKeyMJNYRQGREJARAA-UHFFFAOYSA-N
MW243.35 g/mol
LogP2.77
Rot. Bonds2

About 2-benzyl-2-azatricyclo[3.3.1.13,7]decan-1-ol

2-benzyl-2-azatricyclo[3.3.1.13,7]decan-1-ol (PubChem CID 56665110) has the molecular formula C16H21NO and a molecular weight of 243.35 g/mol. Its IUPAC name is 2-benzyl-2-azatricyclo[3.3.1.13,7]decan-1-ol.

Molecular Properties

Compound Name2-benzyl-2-azatricyclo[3.3.1.13,7]decan-1-ol
PubChem CID56665110
Molecular FormulaC16H21NO
Molecular Weight243.35 g/mol
Exact Mass243.16
IUPAC Name2-benzyl-2-azatricyclo[3.3.1.13,7]decan-1-ol
SMILESOC12CC3CC(CC(C3)N1Cc1ccccc1)C2
InChIInChI=1S/C16H21NO/c18-16-9-13-6-14(10-16)8-15(7-13)17(16)11-12-4-2-1-3-5-12/h1-5,13-15,18H,6-11H2
InChIKeyMJNYRQGREJARAA-UHFFFAOYSA-N
XLogP2.77
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-benzyl-2-azatricyclo[3.3.1.13,7]decan-1-ol?
The IUPAC name of 2-benzyl-2-azatricyclo[3.3.1.13,7]decan-1-ol (CID 56665110) is 2-benzyl-2-azatricyclo[3.3.1.13,7]decan-1-ol.
What is the SMILES notation for 2-benzyl-2-azatricyclo[3.3.1.13,7]decan-1-ol?
The canonical SMILES for 2-benzyl-2-azatricyclo[3.3.1.13,7]decan-1-ol is OC12CC3CC(CC(C3)N1Cc1ccccc1)C2.
What is the InChIKey of 2-benzyl-2-azatricyclo[3.3.1.13,7]decan-1-ol?
The InChIKey is MJNYRQGREJARAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO/c18-16-9-13-6-14(10-16)8-15(7-13)17(16)11-12-4-2-1-3-5-12/h1-5,13-15,18H,6-11H2.
What are the key properties of 2-benzyl-2-azatricyclo[3.3.1.13,7]decan-1-ol?
2-benzyl-2-azatricyclo[3.3.1.13,7]decan-1-ol has a molecular weight of 243.35 g/mol, XLogP of 2.77, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-2-azatricyclo[3.3.1.13,7]decan-1-ol is sourced from PubChem (CID 56665110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).