5-(2-chlorophenyl)-11-methyl-3-azaspiro[5.5]undecane

C17H24ClN — CID 79454434

IUPAC5-(2-chlorophenyl)-11-methyl-3-azaspiro[5.5]undecane
SMILESCC1CCCCC12CCNCC2c1ccccc1Cl
InChIInChI=1S/C17H24ClN/c1-13-6-4-5-9-17(13)10-11-19-12-15(17)14-7-2-3-8-16(14)18/h2-3,7-8,13,15,19H,4-6,9-12H2,1H3
InChIKeyLBHZOMRQALCNTN-UHFFFAOYSA-N
MW277.84 g/mol
LogP4.61
Rot. Bonds1

About 5-(2-chlorophenyl)-11-methyl-3-azaspiro[5.5]undecane

5-(2-chlorophenyl)-11-methyl-3-azaspiro[5.5]undecane (PubChem CID 79454434) has the molecular formula C17H24ClN and a molecular weight of 277.84 g/mol. Its IUPAC name is 5-(2-chlorophenyl)-11-methyl-3-azaspiro[5.5]undecane.

Molecular Properties

Compound Name5-(2-chlorophenyl)-11-methyl-3-azaspiro[5.5]undecane
PubChem CID79454434
Molecular FormulaC17H24ClN
Molecular Weight277.84 g/mol
Exact Mass277.16
IUPAC Name5-(2-chlorophenyl)-11-methyl-3-azaspiro[5.5]undecane
SMILESCC1CCCCC12CCNCC2c1ccccc1Cl
InChIInChI=1S/C17H24ClN/c1-13-6-4-5-9-17(13)10-11-19-12-15(17)14-7-2-3-8-16(14)18/h2-3,7-8,13,15,19H,4-6,9-12H2,1H3
InChIKeyLBHZOMRQALCNTN-UHFFFAOYSA-N
XLogP4.61
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.84
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-(2-chlorophenyl)-3-azaspiro[5.5]undecane
CID 79454124
3'-(2-chlorophenyl)spiro[1,2,3,5,6,8-hexahydropyrrolizine-7,4'-piperidine]
CID 82856484
5-(3-fluorophenyl)-11-methyl-3-azaspiro[5.5]undecane
CID 79433045
3'-(2-chlorophenyl)spiro[1-azabicyclo[3.2.1]octane-4,4'-piperidine]
CID 105366329
5-(2-bromophenyl)-11-methoxy-3-azaspiro[5.5]undecane
CID 106874927
5-(4-chlorophenyl)-8,11-dimethyl-3-azaspiro[5.5]undecane
CID 79434074
4-(2-chlorophenyl)piperidine-3-carboxylic acid
CID 82388184
3-(2-chlorophenyl)-4-(3,5-dichlorophenyl)piperidine
CID 79439665
5-(3-fluorophenyl)-10,11-dimethyl-3-azaspiro[5.5]undecane
CID 79431795
5-(2-fluorophenyl)-11-methyl-3-azaspiro[5.5]undecane-2,4-dione
CID 79437502
3'-(2-fluorophenyl)spiro[1,2,3,5,6,8-hexahydropyrrolizine-7,4'-piperidine]
CID 82855956
[2-(2-chlorophenyl)piperazin-1-yl]-cyclopentylmethanone
CID 120739912

Frequently Asked Questions

What is the IUPAC name of 5-(2-chlorophenyl)-11-methyl-3-azaspiro[5.5]undecane?
The IUPAC name of 5-(2-chlorophenyl)-11-methyl-3-azaspiro[5.5]undecane (CID 79454434) is 5-(2-chlorophenyl)-11-methyl-3-azaspiro[5.5]undecane.
What is the SMILES notation for 5-(2-chlorophenyl)-11-methyl-3-azaspiro[5.5]undecane?
The canonical SMILES for 5-(2-chlorophenyl)-11-methyl-3-azaspiro[5.5]undecane is CC1CCCCC12CCNCC2c1ccccc1Cl.
What is the InChIKey of 5-(2-chlorophenyl)-11-methyl-3-azaspiro[5.5]undecane?
The InChIKey is LBHZOMRQALCNTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClN/c1-13-6-4-5-9-17(13)10-11-19-12-15(17)14-7-2-3-8-16(14)18/h2-3,7-8,13,15,19H,4-6,9-12H2,1H3.
What are the key properties of 5-(2-chlorophenyl)-11-methyl-3-azaspiro[5.5]undecane?
5-(2-chlorophenyl)-11-methyl-3-azaspiro[5.5]undecane has a molecular weight of 277.84 g/mol, XLogP of 4.61, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chlorophenyl)-11-methyl-3-azaspiro[5.5]undecane is sourced from PubChem (CID 79454434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).