2-(8-azabicyclo[3.2.1]octan-3-yl)-1-[2-(3-methylbutyl)piperidin-1-yl]ethanone;hydrochloride

C19H35ClN2O — CID 119822367

IUPAC2-(8-azabicyclo[3.2.1]octan-3-yl)-1-[2-(3-methylbutyl)piperidin-1-yl]ethanone;hydrochloride
SMILESCC(C)CCC1CCCCN1C(=O)CC1CC2CCC(C1)N2.Cl
InChIInChI=1S/C19H34N2O.ClH/c1-14(2)6-9-18-5-3-4-10-21(18)19(22)13-15-11-16-7-8-17(12-15)20-16;/h14-18,20H,3-13H2,1-2H3;1H
InChIKeyABZPBTZDRXRHDW-UHFFFAOYSA-N
MW342.96 g/mol
LogP4.15
Rot. Bonds5

About 2-(8-azabicyclo[3.2.1]octan-3-yl)-1-[2-(3-methylbutyl)piperidin-1-yl]ethanone;hydrochloride

2-(8-azabicyclo[3.2.1]octan-3-yl)-1-[2-(3-methylbutyl)piperidin-1-yl]ethanone;hydrochloride (PubChem CID 119822367) has the molecular formula C19H35ClN2O and a molecular weight of 342.96 g/mol. Its IUPAC name is 2-(8-azabicyclo[3.2.1]octan-3-yl)-1-[2-(3-methylbutyl)piperidin-1-yl]ethanone;hydrochloride.

Molecular Properties

Compound Name2-(8-azabicyclo[3.2.1]octan-3-yl)-1-[2-(3-methylbutyl)piperidin-1-yl]ethanone;hydrochloride
PubChem CID119822367
Molecular FormulaC19H35ClN2O
Molecular Weight342.96 g/mol
Exact Mass342.24
IUPAC Name2-(8-azabicyclo[3.2.1]octan-3-yl)-1-[2-(3-methylbutyl)piperidin-1-yl]ethanone;hydrochloride
SMILESCC(C)CCC1CCCCN1C(=O)CC1CC2CCC(C1)N2.Cl
InChIInChI=1S/C19H34N2O.ClH/c1-14(2)6-9-18-5-3-4-10-21(18)19(22)13-15-11-16-7-8-17(12-15)20-16;/h14-18,20H,3-13H2,1-2H3;1H
InChIKeyABZPBTZDRXRHDW-UHFFFAOYSA-N
XLogP4.15
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.96
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(8-azabicyclo[3.2.1]octan-3-yl)-1-[2-(3-methylbutyl)piperidin-1-yl]ethanone;hydrochloride with MolForge

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Related Compounds

N-[2-[1-[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]piperidin-2-yl]ethyl]methanesulfonamide
CID 119727534
2-(8-azabicyclo[3.2.1]octan-3-yl)-1-(2-propan-2-ylpyrrolidin-1-yl)ethanone
CID 79614899
1-[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]piperidine-2-carboxamide
CID 79607257
2-(8-azabicyclo[3.2.1]octan-3-yl)-1-[3-(2-methylpropyl)morpholin-4-yl]ethanone;hydrochloride
CID 119782067
4-amino-1-[2-(3-methylbutyl)piperidin-1-yl]pentan-1-one
CID 120564107
2-(8-azabicyclo[3.2.1]octan-3-yl)-1-[3-(2-methylpropyl)piperidin-1-yl]ethanone;hydrochloride
CID 119807830
2-(8-azabicyclo[3.2.1]octan-3-yl)-1-(3-methyl-2-propylpiperidin-1-yl)ethanone
CID 119809602
2-(8-azabicyclo[3.2.1]octan-3-yl)-1-(2,4-dimethylpiperazin-1-yl)ethanone
CID 103814616
methyl 1-[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]pyrrolidine-2-carboxylate
CID 79607684
[2-(3-methylbutyl)piperidin-1-yl]-[(2S,4S)-2-methylpiperidin-4-yl]methanone
CID 120639137
2-(8-azabicyclo[3.2.1]octan-3-yl)-1-[2-(2-bicyclo[2.2.1]heptanylmethyl)pyrrolidin-1-yl]ethanone
CID 119766487
2-(8-azabicyclo[3.2.1]octan-3-yl)-1-(4-propan-2-ylazepan-1-yl)ethanone;hydrochloride
CID 119787865

Frequently Asked Questions

What is the IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-1-[2-(3-methylbutyl)piperidin-1-yl]ethanone;hydrochloride?
The IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-1-[2-(3-methylbutyl)piperidin-1-yl]ethanone;hydrochloride (CID 119822367) is 2-(8-azabicyclo[3.2.1]octan-3-yl)-1-[2-(3-methylbutyl)piperidin-1-yl]ethanone;hydrochloride.
What is the SMILES notation for 2-(8-azabicyclo[3.2.1]octan-3-yl)-1-[2-(3-methylbutyl)piperidin-1-yl]ethanone;hydrochloride?
The canonical SMILES for 2-(8-azabicyclo[3.2.1]octan-3-yl)-1-[2-(3-methylbutyl)piperidin-1-yl]ethanone;hydrochloride is CC(C)CCC1CCCCN1C(=O)CC1CC2CCC(C1)N2.Cl.
What is the InChIKey of 2-(8-azabicyclo[3.2.1]octan-3-yl)-1-[2-(3-methylbutyl)piperidin-1-yl]ethanone;hydrochloride?
The InChIKey is ABZPBTZDRXRHDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N2O.ClH/c1-14(2)6-9-18-5-3-4-10-21(18)19(22)13-15-11-16-7-8-17(12-15)20-16;/h14-18,20H,3-13H2,1-2H3;1H.
What are the key properties of 2-(8-azabicyclo[3.2.1]octan-3-yl)-1-[2-(3-methylbutyl)piperidin-1-yl]ethanone;hydrochloride?
2-(8-azabicyclo[3.2.1]octan-3-yl)-1-[2-(3-methylbutyl)piperidin-1-yl]ethanone;hydrochloride has a molecular weight of 342.96 g/mol, XLogP of 4.15, 5 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-[2-(3-methylbutyl)piperidin-1-yl]ethanone;hydrochloride is sourced from PubChem (CID 119822367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).