piperidin-2-yl-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methanone;hydrochloride

C16H29ClN2O — CID 119261766

IUPACpiperidin-2-yl-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methanone;hydrochloride
SMILESCC1(C)CC2CC(C)(CN2C(=O)C2CCCCN2)C1.Cl
InChIInChI=1S/C16H28N2O.ClH/c1-15(2)8-12-9-16(3,10-15)11-18(12)14(19)13-6-4-5-7-17-13;/h12-13,17H,4-11H2,1-3H3;1H
InChIKeyHGGHOHMZKINLKT-UHFFFAOYSA-N
MW300.87 g/mol
LogP2.98
Rot. Bonds1

About piperidin-2-yl-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methanone;hydrochloride

piperidin-2-yl-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methanone;hydrochloride (PubChem CID 119261766) has the molecular formula C16H29ClN2O and a molecular weight of 300.87 g/mol. Its IUPAC name is piperidin-2-yl-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methanone;hydrochloride.

Molecular Properties

Compound Namepiperidin-2-yl-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methanone;hydrochloride
PubChem CID119261766
Molecular FormulaC16H29ClN2O
Molecular Weight300.87 g/mol
Exact Mass300.20
IUPAC Namepiperidin-2-yl-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methanone;hydrochloride
SMILESCC1(C)CC2CC(C)(CN2C(=O)C2CCCCN2)C1.Cl
InChIInChI=1S/C16H28N2O.ClH/c1-15(2)8-12-9-16(3,10-15)11-18(12)14(19)13-6-4-5-7-17-13;/h12-13,17H,4-11H2,1-3H3;1H
InChIKeyHGGHOHMZKINLKT-UHFFFAOYSA-N
XLogP2.98
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.87
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze piperidin-2-yl-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methanone;hydrochloride with MolForge

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Related Compounds

N-cycloheptyl-2-oxo-2-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)acetamide
CID 108528980
pyrrolidin-3-yl-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methanone
CID 63006842
(4,4-dimethylpiperidin-1-yl)-piperidin-2-ylmethanone;hydrochloride
CID 119316184
(4,4-dimethylpiperidin-1-yl)-[(2R)-piperidin-2-yl]methanone
CID 94899369
1,3,3-trimethyl-6-azabicyclo[3.2.1]octane-6-carbonyl chloride
CID 54116057
azepan-2-yl-(4,4-dimethylpiperidin-1-yl)methanone
CID 64571164
(3-methylpyrrolidin-3-yl)-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methanone;hydrochloride
CID 119670140
2-amino-1-[(1R,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]ethanone
CID 7268032
(4,4-dimethylazepan-1-yl)-[(2R)-piperidin-2-yl]methanone
CID 103812421
(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-piperidin-2-ylmethanone
CID 119335393
(3-methylpyrrolidin-3-yl)-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methanone
CID 63143510
(3-hydroxy-3-methylpyrrolidin-1-yl)-[(2S)-piperidin-2-yl]methanone
CID 103356057

Frequently Asked Questions

What is the IUPAC name of piperidin-2-yl-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methanone;hydrochloride?
The IUPAC name of piperidin-2-yl-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methanone;hydrochloride (CID 119261766) is piperidin-2-yl-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methanone;hydrochloride.
What is the SMILES notation for piperidin-2-yl-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methanone;hydrochloride?
The canonical SMILES for piperidin-2-yl-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methanone;hydrochloride is CC1(C)CC2CC(C)(CN2C(=O)C2CCCCN2)C1.Cl.
What is the InChIKey of piperidin-2-yl-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methanone;hydrochloride?
The InChIKey is HGGHOHMZKINLKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O.ClH/c1-15(2)8-12-9-16(3,10-15)11-18(12)14(19)13-6-4-5-7-17-13;/h12-13,17H,4-11H2,1-3H3;1H.
What are the key properties of piperidin-2-yl-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methanone;hydrochloride?
piperidin-2-yl-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methanone;hydrochloride has a molecular weight of 300.87 g/mol, XLogP of 2.98, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for piperidin-2-yl-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methanone;hydrochloride is sourced from PubChem (CID 119261766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).