3-hydroxy-2-methyl-1-(8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl)-2-phenylpropan-1-one;hydrochloride

C17H25ClN2O2 — CID 3056680

IUPAC3-hydroxy-2-methyl-1-(8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl)-2-phenylpropan-1-one;hydrochloride
SMILESCN1C2CCC1CN(C(=O)C(C)(CO)c1ccccc1)C2.Cl
InChIInChI=1S/C17H24N2O2.ClH/c1-17(12-20,13-6-4-3-5-7-13)16(21)19-10-14-8-9-15(11-19)18(14)2;/h3-7,14-15,20H,8-12H2,1-2H3;1H
InChIKeyNAHCPMMFCBZUNZ-UHFFFAOYSA-N
MW324.85 g/mol
LogP1.66
Rot. Bonds3

About 3-hydroxy-2-methyl-1-(8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl)-2-phenylpropan-1-one;hydrochloride

3-hydroxy-2-methyl-1-(8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl)-2-phenylpropan-1-one;hydrochloride (PubChem CID 3056680) has the molecular formula C17H25ClN2O2 and a molecular weight of 324.85 g/mol. Its IUPAC name is 3-hydroxy-2-methyl-1-(8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl)-2-phenylpropan-1-one;hydrochloride.

Molecular Properties

Compound Name3-hydroxy-2-methyl-1-(8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl)-2-phenylpropan-1-one;hydrochloride
PubChem CID3056680
Molecular FormulaC17H25ClN2O2
Molecular Weight324.85 g/mol
Exact Mass324.16
IUPAC Name3-hydroxy-2-methyl-1-(8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl)-2-phenylpropan-1-one;hydrochloride
SMILESCN1C2CCC1CN(C(=O)C(C)(CO)c1ccccc1)C2.Cl
InChIInChI=1S/C17H24N2O2.ClH/c1-17(12-20,13-6-4-3-5-7-13)16(21)19-10-14-8-9-15(11-19)18(14)2;/h3-7,14-15,20H,8-12H2,1-2H3;1H
InChIKeyNAHCPMMFCBZUNZ-UHFFFAOYSA-N
XLogP1.66
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.85
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2-methyl-1-(8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl)-2-phenylpropan-1-one;hydrochloride?
The IUPAC name of 3-hydroxy-2-methyl-1-(8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl)-2-phenylpropan-1-one;hydrochloride (CID 3056680) is 3-hydroxy-2-methyl-1-(8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl)-2-phenylpropan-1-one;hydrochloride.
What is the SMILES notation for 3-hydroxy-2-methyl-1-(8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl)-2-phenylpropan-1-one;hydrochloride?
The canonical SMILES for 3-hydroxy-2-methyl-1-(8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl)-2-phenylpropan-1-one;hydrochloride is CN1C2CCC1CN(C(=O)C(C)(CO)c1ccccc1)C2.Cl.
What is the InChIKey of 3-hydroxy-2-methyl-1-(8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl)-2-phenylpropan-1-one;hydrochloride?
The InChIKey is NAHCPMMFCBZUNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2.ClH/c1-17(12-20,13-6-4-3-5-7-13)16(21)19-10-14-8-9-15(11-19)18(14)2;/h3-7,14-15,20H,8-12H2,1-2H3;1H.
What are the key properties of 3-hydroxy-2-methyl-1-(8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl)-2-phenylpropan-1-one;hydrochloride?
3-hydroxy-2-methyl-1-(8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl)-2-phenylpropan-1-one;hydrochloride has a molecular weight of 324.85 g/mol, XLogP of 1.66, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-methyl-1-(8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl)-2-phenylpropan-1-one;hydrochloride is sourced from PubChem (CID 3056680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).