(2-benzyl-2-azabicyclo[2.2.1]heptan-3-yl)methanol

C14H19NO — CID 85264098

IUPAC(2-benzyl-2-azabicyclo[2.2.1]heptan-3-yl)methanol
SMILESOCC1C2CCC(C2)N1Cc1ccccc1
InChIInChI=1S/C14H19NO/c16-10-14-12-6-7-13(8-12)15(14)9-11-4-2-1-3-5-11/h1-5,12-14,16H,6-10H2
InChIKeyBJZCYPSEEBNGLR-UHFFFAOYSA-N
MW217.31 g/mol
LogP2.03
Rot. Bonds3

About (2-benzyl-2-azabicyclo[2.2.1]heptan-3-yl)methanol

(2-benzyl-2-azabicyclo[2.2.1]heptan-3-yl)methanol (PubChem CID 85264098) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is (2-benzyl-2-azabicyclo[2.2.1]heptan-3-yl)methanol.

Molecular Properties

Compound Name(2-benzyl-2-azabicyclo[2.2.1]heptan-3-yl)methanol
PubChem CID85264098
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name(2-benzyl-2-azabicyclo[2.2.1]heptan-3-yl)methanol
SMILESOCC1C2CCC(C2)N1Cc1ccccc1
InChIInChI=1S/C14H19NO/c16-10-14-12-6-7-13(8-12)15(14)9-11-4-2-1-3-5-11/h1-5,12-14,16H,6-10H2
InChIKeyBJZCYPSEEBNGLR-UHFFFAOYSA-N
XLogP2.03
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2-benzyl-2-azabicyclo[2.2.1]heptan-3-yl)methanol?
The IUPAC name of (2-benzyl-2-azabicyclo[2.2.1]heptan-3-yl)methanol (CID 85264098) is (2-benzyl-2-azabicyclo[2.2.1]heptan-3-yl)methanol.
What is the SMILES notation for (2-benzyl-2-azabicyclo[2.2.1]heptan-3-yl)methanol?
The canonical SMILES for (2-benzyl-2-azabicyclo[2.2.1]heptan-3-yl)methanol is OCC1C2CCC(C2)N1Cc1ccccc1.
What is the InChIKey of (2-benzyl-2-azabicyclo[2.2.1]heptan-3-yl)methanol?
The InChIKey is BJZCYPSEEBNGLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO/c16-10-14-12-6-7-13(8-12)15(14)9-11-4-2-1-3-5-11/h1-5,12-14,16H,6-10H2.
What are the key properties of (2-benzyl-2-azabicyclo[2.2.1]heptan-3-yl)methanol?
(2-benzyl-2-azabicyclo[2.2.1]heptan-3-yl)methanol has a molecular weight of 217.31 g/mol, XLogP of 2.03, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-benzyl-2-azabicyclo[2.2.1]heptan-3-yl)methanol is sourced from PubChem (CID 85264098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).