[2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)phenyl]methanol

C15H22N2O — CID 79175516

IUPAC[2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)phenyl]methanol
SMILESCN1C2CCC1CN(c1ccccc1CO)CC2
InChIInChI=1S/C15H22N2O/c1-16-13-6-7-14(16)10-17(9-8-13)15-5-3-2-4-12(15)11-18/h2-5,13-14,18H,6-11H2,1H3
InChIKeyDVFNOPQCNDPRLR-UHFFFAOYSA-N
MW246.35 g/mol
LogP1.85
Rot. Bonds2

About [2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)phenyl]methanol

[2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)phenyl]methanol (PubChem CID 79175516) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is [2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)phenyl]methanol.

Molecular Properties

Compound Name[2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)phenyl]methanol
PubChem CID79175516
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name[2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)phenyl]methanol
SMILESCN1C2CCC1CN(c1ccccc1CO)CC2
InChIInChI=1S/C15H22N2O/c1-16-13-6-7-14(16)10-17(9-8-13)15-5-3-2-4-12(15)11-18/h2-5,13-14,18H,6-11H2,1H3
InChIKeyDVFNOPQCNDPRLR-UHFFFAOYSA-N
XLogP1.85
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)phenyl]methanol?
The IUPAC name of [2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)phenyl]methanol (CID 79175516) is [2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)phenyl]methanol.
What is the SMILES notation for [2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)phenyl]methanol?
The canonical SMILES for [2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)phenyl]methanol is CN1C2CCC1CN(c1ccccc1CO)CC2.
What is the InChIKey of [2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)phenyl]methanol?
The InChIKey is DVFNOPQCNDPRLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-16-13-6-7-14(16)10-17(9-8-13)15-5-3-2-4-12(15)11-18/h2-5,13-14,18H,6-11H2,1H3.
What are the key properties of [2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)phenyl]methanol?
[2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)phenyl]methanol has a molecular weight of 246.35 g/mol, XLogP of 1.85, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)phenyl]methanol is sourced from PubChem (CID 79175516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).