2-(8-azabicyclo[3.2.1]octan-3-yl)-1-(3-ethyl-4-phenylpiperidin-1-yl)ethanone;hydrochloride

C22H33ClN2O — CID 119817666

IUPAC2-(8-azabicyclo[3.2.1]octan-3-yl)-1-(3-ethyl-4-phenylpiperidin-1-yl)ethanone;hydrochloride
SMILESCCC1CN(C(=O)CC2CC3CCC(C2)N3)CCC1c1ccccc1.Cl
InChIInChI=1S/C22H32N2O.ClH/c1-2-17-15-24(11-10-21(17)18-6-4-3-5-7-18)22(25)14-16-12-19-8-9-20(13-16)23-19;/h3-7,16-17,19-21,23H,2,8-15H2,1H3;1H
InChIKeyQSGDJKOITHINPR-UHFFFAOYSA-N
MW376.97 g/mol
LogP4.37
Rot. Bonds4

About 2-(8-azabicyclo[3.2.1]octan-3-yl)-1-(3-ethyl-4-phenylpiperidin-1-yl)ethanone;hydrochloride

2-(8-azabicyclo[3.2.1]octan-3-yl)-1-(3-ethyl-4-phenylpiperidin-1-yl)ethanone;hydrochloride (PubChem CID 119817666) has the molecular formula C22H33ClN2O and a molecular weight of 376.97 g/mol. Its IUPAC name is 2-(8-azabicyclo[3.2.1]octan-3-yl)-1-(3-ethyl-4-phenylpiperidin-1-yl)ethanone;hydrochloride.

Molecular Properties

Compound Name2-(8-azabicyclo[3.2.1]octan-3-yl)-1-(3-ethyl-4-phenylpiperidin-1-yl)ethanone;hydrochloride
PubChem CID119817666
Molecular FormulaC22H33ClN2O
Molecular Weight376.97 g/mol
Exact Mass376.23
IUPAC Name2-(8-azabicyclo[3.2.1]octan-3-yl)-1-(3-ethyl-4-phenylpiperidin-1-yl)ethanone;hydrochloride
SMILESCCC1CN(C(=O)CC2CC3CCC(C2)N3)CCC1c1ccccc1.Cl
InChIInChI=1S/C22H32N2O.ClH/c1-2-17-15-24(11-10-21(17)18-6-4-3-5-7-18)22(25)14-16-12-19-8-9-20(13-16)23-19;/h3-7,16-17,19-21,23H,2,8-15H2,1H3;1H
InChIKeyQSGDJKOITHINPR-UHFFFAOYSA-N
XLogP4.37
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.97
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-1-(3-ethyl-4-phenylpiperidin-1-yl)ethanone;hydrochloride?
The IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-1-(3-ethyl-4-phenylpiperidin-1-yl)ethanone;hydrochloride (CID 119817666) is 2-(8-azabicyclo[3.2.1]octan-3-yl)-1-(3-ethyl-4-phenylpiperidin-1-yl)ethanone;hydrochloride.
What is the SMILES notation for 2-(8-azabicyclo[3.2.1]octan-3-yl)-1-(3-ethyl-4-phenylpiperidin-1-yl)ethanone;hydrochloride?
The canonical SMILES for 2-(8-azabicyclo[3.2.1]octan-3-yl)-1-(3-ethyl-4-phenylpiperidin-1-yl)ethanone;hydrochloride is CCC1CN(C(=O)CC2CC3CCC(C2)N3)CCC1c1ccccc1.Cl.
What is the InChIKey of 2-(8-azabicyclo[3.2.1]octan-3-yl)-1-(3-ethyl-4-phenylpiperidin-1-yl)ethanone;hydrochloride?
The InChIKey is QSGDJKOITHINPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N2O.ClH/c1-2-17-15-24(11-10-21(17)18-6-4-3-5-7-18)22(25)14-16-12-19-8-9-20(13-16)23-19;/h3-7,16-17,19-21,23H,2,8-15H2,1H3;1H.
What are the key properties of 2-(8-azabicyclo[3.2.1]octan-3-yl)-1-(3-ethyl-4-phenylpiperidin-1-yl)ethanone;hydrochloride?
2-(8-azabicyclo[3.2.1]octan-3-yl)-1-(3-ethyl-4-phenylpiperidin-1-yl)ethanone;hydrochloride has a molecular weight of 376.97 g/mol, XLogP of 4.37, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-azabicyclo[3.2.1]octan-3-yl)-1-(3-ethyl-4-phenylpiperidin-1-yl)ethanone;hydrochloride is sourced from PubChem (CID 119817666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).