benzyl 8-(methylamino)-3-azabicyclo[3.2.1]octane-3-carboxylate;hydrochloride

C16H23ClN2O2 — CID 156705167

IUPACbenzyl 8-(methylamino)-3-azabicyclo[3.2.1]octane-3-carboxylate;hydrochloride
SMILESCNC1C2CCC1CN(C(=O)OCc1ccccc1)C2.Cl
InChIInChI=1S/C16H22N2O2.ClH/c1-17-15-13-7-8-14(15)10-18(9-13)16(19)20-11-12-5-3-2-4-6-12;/h2-6,13-15,17H,7-11H2,1H3;1H
InChIKeyWVGZMWMYOJQVPG-UHFFFAOYSA-N
MW310.82 g/mol
LogP2.67
Rot. Bonds3

About benzyl 8-(methylamino)-3-azabicyclo[3.2.1]octane-3-carboxylate;hydrochloride

benzyl 8-(methylamino)-3-azabicyclo[3.2.1]octane-3-carboxylate;hydrochloride (PubChem CID 156705167) has the molecular formula C16H23ClN2O2 and a molecular weight of 310.82 g/mol. Its IUPAC name is benzyl 8-(methylamino)-3-azabicyclo[3.2.1]octane-3-carboxylate;hydrochloride.

Molecular Properties

Compound Namebenzyl 8-(methylamino)-3-azabicyclo[3.2.1]octane-3-carboxylate;hydrochloride
PubChem CID156705167
Molecular FormulaC16H23ClN2O2
Molecular Weight310.82 g/mol
Exact Mass310.14
IUPAC Namebenzyl 8-(methylamino)-3-azabicyclo[3.2.1]octane-3-carboxylate;hydrochloride
SMILESCNC1C2CCC1CN(C(=O)OCc1ccccc1)C2.Cl
InChIInChI=1S/C16H22N2O2.ClH/c1-17-15-13-7-8-14(15)10-18(9-13)16(19)20-11-12-5-3-2-4-6-12;/h2-6,13-15,17H,7-11H2,1H3;1H
InChIKeyWVGZMWMYOJQVPG-UHFFFAOYSA-N
XLogP2.67
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.82
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 27281884

Frequently Asked Questions

What is the IUPAC name of benzyl 8-(methylamino)-3-azabicyclo[3.2.1]octane-3-carboxylate;hydrochloride?
The IUPAC name of benzyl 8-(methylamino)-3-azabicyclo[3.2.1]octane-3-carboxylate;hydrochloride (CID 156705167) is benzyl 8-(methylamino)-3-azabicyclo[3.2.1]octane-3-carboxylate;hydrochloride.
What is the SMILES notation for benzyl 8-(methylamino)-3-azabicyclo[3.2.1]octane-3-carboxylate;hydrochloride?
The canonical SMILES for benzyl 8-(methylamino)-3-azabicyclo[3.2.1]octane-3-carboxylate;hydrochloride is CNC1C2CCC1CN(C(=O)OCc1ccccc1)C2.Cl.
What is the InChIKey of benzyl 8-(methylamino)-3-azabicyclo[3.2.1]octane-3-carboxylate;hydrochloride?
The InChIKey is WVGZMWMYOJQVPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2.ClH/c1-17-15-13-7-8-14(15)10-18(9-13)16(19)20-11-12-5-3-2-4-6-12;/h2-6,13-15,17H,7-11H2,1H3;1H.
What are the key properties of benzyl 8-(methylamino)-3-azabicyclo[3.2.1]octane-3-carboxylate;hydrochloride?
benzyl 8-(methylamino)-3-azabicyclo[3.2.1]octane-3-carboxylate;hydrochloride has a molecular weight of 310.82 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 8-(methylamino)-3-azabicyclo[3.2.1]octane-3-carboxylate;hydrochloride is sourced from PubChem (CID 156705167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).