methyl 2-(3-benzyl-8-methyl-8-azabicyclo[3.2.1]octan-2-yl)acetate;hydrochloride

C18H26ClNO2 — CID 45262149

IUPACmethyl 2-(3-benzyl-8-methyl-8-azabicyclo[3.2.1]octan-2-yl)acetate;hydrochloride
SMILESCOC(=O)CC1C(Cc2ccccc2)CC2CCC1N2C.Cl
InChIInChI=1S/C18H25NO2.ClH/c1-19-15-8-9-17(19)16(12-18(20)21-2)14(11-15)10-13-6-4-3-5-7-13;/h3-7,14-17H,8-12H2,1-2H3;1H
InChIKeyUHRGAWNJLWYFLS-UHFFFAOYSA-N
MW323.86 g/mol
LogP3.31
Rot. Bonds4

About methyl 2-(3-benzyl-8-methyl-8-azabicyclo[3.2.1]octan-2-yl)acetate;hydrochloride

methyl 2-(3-benzyl-8-methyl-8-azabicyclo[3.2.1]octan-2-yl)acetate;hydrochloride (PubChem CID 45262149) has the molecular formula C18H26ClNO2 and a molecular weight of 323.86 g/mol. Its IUPAC name is methyl 2-(3-benzyl-8-methyl-8-azabicyclo[3.2.1]octan-2-yl)acetate;hydrochloride.

Molecular Properties

Compound Namemethyl 2-(3-benzyl-8-methyl-8-azabicyclo[3.2.1]octan-2-yl)acetate;hydrochloride
PubChem CID45262149
Molecular FormulaC18H26ClNO2
Molecular Weight323.86 g/mol
Exact Mass323.17
IUPAC Namemethyl 2-(3-benzyl-8-methyl-8-azabicyclo[3.2.1]octan-2-yl)acetate;hydrochloride
SMILESCOC(=O)CC1C(Cc2ccccc2)CC2CCC1N2C.Cl
InChIInChI=1S/C18H25NO2.ClH/c1-19-15-8-9-17(19)16(12-18(20)21-2)14(11-15)10-13-6-4-3-5-7-13;/h3-7,14-17H,8-12H2,1-2H3;1H
InChIKeyUHRGAWNJLWYFLS-UHFFFAOYSA-N
XLogP3.31
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.86
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(3-benzyl-8-methyl-8-azabicyclo[3.2.1]octan-2-yl)acetate;hydrochloride?
The IUPAC name of methyl 2-(3-benzyl-8-methyl-8-azabicyclo[3.2.1]octan-2-yl)acetate;hydrochloride (CID 45262149) is methyl 2-(3-benzyl-8-methyl-8-azabicyclo[3.2.1]octan-2-yl)acetate;hydrochloride.
What is the SMILES notation for methyl 2-(3-benzyl-8-methyl-8-azabicyclo[3.2.1]octan-2-yl)acetate;hydrochloride?
The canonical SMILES for methyl 2-(3-benzyl-8-methyl-8-azabicyclo[3.2.1]octan-2-yl)acetate;hydrochloride is COC(=O)CC1C(Cc2ccccc2)CC2CCC1N2C.Cl.
What is the InChIKey of methyl 2-(3-benzyl-8-methyl-8-azabicyclo[3.2.1]octan-2-yl)acetate;hydrochloride?
The InChIKey is UHRGAWNJLWYFLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO2.ClH/c1-19-15-8-9-17(19)16(12-18(20)21-2)14(11-15)10-13-6-4-3-5-7-13;/h3-7,14-17H,8-12H2,1-2H3;1H.
What are the key properties of methyl 2-(3-benzyl-8-methyl-8-azabicyclo[3.2.1]octan-2-yl)acetate;hydrochloride?
methyl 2-(3-benzyl-8-methyl-8-azabicyclo[3.2.1]octan-2-yl)acetate;hydrochloride has a molecular weight of 323.86 g/mol, XLogP of 3.31, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3-benzyl-8-methyl-8-azabicyclo[3.2.1]octan-2-yl)acetate;hydrochloride is sourced from PubChem (CID 45262149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).