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

C16H22ClN — CID 79454124

IUPAC5-(2-chlorophenyl)-3-azaspiro[5.5]undecane
SMILESClc1ccccc1C1CNCCC12CCCCC2
InChIInChI=1S/C16H22ClN/c17-15-7-3-2-6-13(15)14-12-18-11-10-16(14)8-4-1-5-9-16/h2-3,6-7,14,18H,1,4-5,8-12H2
InChIKeySTBMMNBDNXJAKX-UHFFFAOYSA-N
MW263.81 g/mol
LogP4.37
Rot. Bonds1

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

5-(2-chlorophenyl)-3-azaspiro[5.5]undecane (PubChem CID 79454124) has the molecular formula C16H22ClN and a molecular weight of 263.81 g/mol. Its IUPAC name is 5-(2-chlorophenyl)-3-azaspiro[5.5]undecane.

Molecular Properties

Compound Name5-(2-chlorophenyl)-3-azaspiro[5.5]undecane
PubChem CID79454124
Molecular FormulaC16H22ClN
Molecular Weight263.81 g/mol
Exact Mass263.14
IUPAC Name5-(2-chlorophenyl)-3-azaspiro[5.5]undecane
SMILESClc1ccccc1C1CNCCC12CCCCC2
InChIInChI=1S/C16H22ClN/c17-15-7-3-2-6-13(15)14-12-18-11-10-16(14)8-4-1-5-9-16/h2-3,6-7,14,18H,1,4-5,8-12H2
InChIKeySTBMMNBDNXJAKX-UHFFFAOYSA-N
XLogP4.37
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.81
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 5-(2-chlorophenyl)-3-azaspiro[5.5]undecane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(2-chlorophenyl)-3-azaspiro[5.5]undecane?
The IUPAC name of 5-(2-chlorophenyl)-3-azaspiro[5.5]undecane (CID 79454124) is 5-(2-chlorophenyl)-3-azaspiro[5.5]undecane.
What is the SMILES notation for 5-(2-chlorophenyl)-3-azaspiro[5.5]undecane?
The canonical SMILES for 5-(2-chlorophenyl)-3-azaspiro[5.5]undecane is Clc1ccccc1C1CNCCC12CCCCC2.
What is the InChIKey of 5-(2-chlorophenyl)-3-azaspiro[5.5]undecane?
The InChIKey is STBMMNBDNXJAKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClN/c17-15-7-3-2-6-13(15)14-12-18-11-10-16(14)8-4-1-5-9-16/h2-3,6-7,14,18H,1,4-5,8-12H2.
What are the key properties of 5-(2-chlorophenyl)-3-azaspiro[5.5]undecane?
5-(2-chlorophenyl)-3-azaspiro[5.5]undecane has a molecular weight of 263.81 g/mol, XLogP of 4.37, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chlorophenyl)-3-azaspiro[5.5]undecane is sourced from PubChem (CID 79454124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).