1-[(2,5-dichlorophenyl)methyl]-1,4-diazaspiro[5.5]undecane

C16H22Cl2N2 — CID 65317459

IUPAC1-[(2,5-dichlorophenyl)methyl]-1,4-diazaspiro[5.5]undecane
SMILESClc1ccc(Cl)c(CN2CCNCC23CCCCC3)c1
InChIInChI=1S/C16H22Cl2N2/c17-14-4-5-15(18)13(10-14)11-20-9-8-19-12-16(20)6-2-1-3-7-16/h4-5,10,19H,1-3,6-9,11-12H2
InChIKeyGVKVFAYSQUUCFB-UHFFFAOYSA-N
MW313.27 g/mol
LogP4.10
Rot. Bonds2

About 1-[(2,5-dichlorophenyl)methyl]-1,4-diazaspiro[5.5]undecane

1-[(2,5-dichlorophenyl)methyl]-1,4-diazaspiro[5.5]undecane (PubChem CID 65317459) has the molecular formula C16H22Cl2N2 and a molecular weight of 313.27 g/mol. Its IUPAC name is 1-[(2,5-dichlorophenyl)methyl]-1,4-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name1-[(2,5-dichlorophenyl)methyl]-1,4-diazaspiro[5.5]undecane
PubChem CID65317459
Molecular FormulaC16H22Cl2N2
Molecular Weight313.27 g/mol
Exact Mass312.12
IUPAC Name1-[(2,5-dichlorophenyl)methyl]-1,4-diazaspiro[5.5]undecane
SMILESClc1ccc(Cl)c(CN2CCNCC23CCCCC3)c1
InChIInChI=1S/C16H22Cl2N2/c17-14-4-5-15(18)13(10-14)11-20-9-8-19-12-16(20)6-2-1-3-7-16/h4-5,10,19H,1-3,6-9,11-12H2
InChIKeyGVKVFAYSQUUCFB-UHFFFAOYSA-N
XLogP4.10
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.27
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[(2,5-dichlorophenyl)methyl]-1,4-diazaspiro[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 1-[(2,5-dichlorophenyl)methyl]-1,4-diazaspiro[5.5]undecane?
The IUPAC name of 1-[(2,5-dichlorophenyl)methyl]-1,4-diazaspiro[5.5]undecane (CID 65317459) is 1-[(2,5-dichlorophenyl)methyl]-1,4-diazaspiro[5.5]undecane.
What is the SMILES notation for 1-[(2,5-dichlorophenyl)methyl]-1,4-diazaspiro[5.5]undecane?
The canonical SMILES for 1-[(2,5-dichlorophenyl)methyl]-1,4-diazaspiro[5.5]undecane is Clc1ccc(Cl)c(CN2CCNCC23CCCCC3)c1.
What is the InChIKey of 1-[(2,5-dichlorophenyl)methyl]-1,4-diazaspiro[5.5]undecane?
The InChIKey is GVKVFAYSQUUCFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22Cl2N2/c17-14-4-5-15(18)13(10-14)11-20-9-8-19-12-16(20)6-2-1-3-7-16/h4-5,10,19H,1-3,6-9,11-12H2.
What are the key properties of 1-[(2,5-dichlorophenyl)methyl]-1,4-diazaspiro[5.5]undecane?
1-[(2,5-dichlorophenyl)methyl]-1,4-diazaspiro[5.5]undecane has a molecular weight of 313.27 g/mol, XLogP of 4.10, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,5-dichlorophenyl)methyl]-1,4-diazaspiro[5.5]undecane is sourced from PubChem (CID 65317459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).