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

C15H19Cl3N2 — CID 64926469

IUPAC4-(2,4,5-trichlorophenyl)-1,4-diazaspiro[5.5]undecane
SMILESClc1cc(Cl)c(N2CCNC3(CCCCC3)C2)cc1Cl
InChIInChI=1S/C15H19Cl3N2/c16-11-8-13(18)14(9-12(11)17)20-7-6-19-15(10-20)4-2-1-3-5-15/h8-9,19H,1-7,10H2
InChIKeyVFQYEOOPRPWVLV-UHFFFAOYSA-N
MW333.69 g/mol
LogP4.76
Rot. Bonds1

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

4-(2,4,5-trichlorophenyl)-1,4-diazaspiro[5.5]undecane (PubChem CID 64926469) has the molecular formula C15H19Cl3N2 and a molecular weight of 333.69 g/mol. Its IUPAC name is 4-(2,4,5-trichlorophenyl)-1,4-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name4-(2,4,5-trichlorophenyl)-1,4-diazaspiro[5.5]undecane
PubChem CID64926469
Molecular FormulaC15H19Cl3N2
Molecular Weight333.69 g/mol
Exact Mass332.06
IUPAC Name4-(2,4,5-trichlorophenyl)-1,4-diazaspiro[5.5]undecane
SMILESClc1cc(Cl)c(N2CCNC3(CCCCC3)C2)cc1Cl
InChIInChI=1S/C15H19Cl3N2/c16-11-8-13(18)14(9-12(11)17)20-7-6-19-15(10-20)4-2-1-3-5-15/h8-9,19H,1-7,10H2
InChIKeyVFQYEOOPRPWVLV-UHFFFAOYSA-N
XLogP4.76
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.69
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

10-(4-bromo-2-chlorophenyl)-6,10-diazaspiro[4.6]undecane
CID 64943983
9-(2-chloro-4,6-difluorophenyl)-6,9-diazaspiro[4.5]decane
CID 83082638
4-(5-fluoro-2-methylphenyl)-1,4-diazaspiro[5.5]undecane
CID 64926208
9-(2-bromophenyl)-6,9-diazaspiro[4.5]decane
CID 64925677
4-(2,3-dimethylphenyl)-1,4-diazaspiro[5.5]undecane
CID 64924817
4-(5-bromo-2-methoxyphenyl)-1,4-diazaspiro[5.5]undecane
CID 64954511
9-(2-chloro-6-methylphenyl)-6,9-diazaspiro[4.5]decane
CID 66257215
4-(3-fluoro-2-methylphenyl)-1,4-diazaspiro[5.5]undecane
CID 64952525
3-cyclopropyl-3-methyl-1-(2,4,5-trichlorophenyl)-1,4-diazepane
CID 64943180
1-(2,4,5-trichlorophenyl)pyrrolidine
CID 168512071
11-(4-bromo-2,5-difluorophenyl)-7,11-diazaspiro[5.6]dodecane
CID 107608134
4-(4-bromo-3-fluorophenyl)-1,4-diazaspiro[5.5]undecane
CID 65431049

Frequently Asked Questions

What is the IUPAC name of 4-(2,4,5-trichlorophenyl)-1,4-diazaspiro[5.5]undecane?
The IUPAC name of 4-(2,4,5-trichlorophenyl)-1,4-diazaspiro[5.5]undecane (CID 64926469) is 4-(2,4,5-trichlorophenyl)-1,4-diazaspiro[5.5]undecane.
What is the SMILES notation for 4-(2,4,5-trichlorophenyl)-1,4-diazaspiro[5.5]undecane?
The canonical SMILES for 4-(2,4,5-trichlorophenyl)-1,4-diazaspiro[5.5]undecane is Clc1cc(Cl)c(N2CCNC3(CCCCC3)C2)cc1Cl.
What is the InChIKey of 4-(2,4,5-trichlorophenyl)-1,4-diazaspiro[5.5]undecane?
The InChIKey is VFQYEOOPRPWVLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19Cl3N2/c16-11-8-13(18)14(9-12(11)17)20-7-6-19-15(10-20)4-2-1-3-5-15/h8-9,19H,1-7,10H2.
What are the key properties of 4-(2,4,5-trichlorophenyl)-1,4-diazaspiro[5.5]undecane?
4-(2,4,5-trichlorophenyl)-1,4-diazaspiro[5.5]undecane has a molecular weight of 333.69 g/mol, XLogP of 4.76, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4,5-trichlorophenyl)-1,4-diazaspiro[5.5]undecane is sourced from PubChem (CID 64926469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).