4-[(5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)methyl]phenol

C13H18N2O — CID 84786229

IUPAC4-[(5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)methyl]phenol
SMILESCN1CC2CC1CN2Cc1ccc(O)cc1
InChIInChI=1S/C13H18N2O/c1-14-8-12-6-11(14)9-15(12)7-10-2-4-13(16)5-3-10/h2-5,11-12,16H,6-9H2,1H3
InChIKeyYTXUOEYRGZKMAP-UHFFFAOYSA-N
MW218.30 g/mol
LogP1.28
Rot. Bonds2

About 4-[(5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)methyl]phenol

4-[(5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)methyl]phenol (PubChem CID 84786229) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is 4-[(5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)methyl]phenol.

Molecular Properties

Compound Name4-[(5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)methyl]phenol
PubChem CID84786229
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name4-[(5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)methyl]phenol
SMILESCN1CC2CC1CN2Cc1ccc(O)cc1
InChIInChI=1S/C13H18N2O/c1-14-8-12-6-11(14)9-15(12)7-10-2-4-13(16)5-3-10/h2-5,11-12,16H,6-9H2,1H3
InChIKeyYTXUOEYRGZKMAP-UHFFFAOYSA-N
XLogP1.28
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)methyl]phenol?
The IUPAC name of 4-[(5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)methyl]phenol (CID 84786229) is 4-[(5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)methyl]phenol.
What is the SMILES notation for 4-[(5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)methyl]phenol?
The canonical SMILES for 4-[(5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)methyl]phenol is CN1CC2CC1CN2Cc1ccc(O)cc1.
What is the InChIKey of 4-[(5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)methyl]phenol?
The InChIKey is YTXUOEYRGZKMAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c1-14-8-12-6-11(14)9-15(12)7-10-2-4-13(16)5-3-10/h2-5,11-12,16H,6-9H2,1H3.
What are the key properties of 4-[(5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)methyl]phenol?
4-[(5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)methyl]phenol has a molecular weight of 218.30 g/mol, XLogP of 1.28, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)methyl]phenol is sourced from PubChem (CID 84786229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).