4-(2,5-dichloro-4-methylphenyl)-3-methyl-1,4-diazaspiro[5.5]undecane

C17H24Cl2N2 — CID 104728489

IUPAC4-(2,5-dichloro-4-methylphenyl)-3-methyl-1,4-diazaspiro[5.5]undecane
SMILESCc1cc(Cl)c(N2CC3(CCCCC3)NCC2C)cc1Cl
InChIInChI=1S/C17H24Cl2N2/c1-12-8-15(19)16(9-14(12)18)21-11-17(20-10-13(21)2)6-4-3-5-7-17/h8-9,13,20H,3-7,10-11H2,1-2H3
InChIKeyQBTBMIAOVLAADZ-UHFFFAOYSA-N
MW327.30 g/mol
LogP4.80
Rot. Bonds1

About 4-(2,5-dichloro-4-methylphenyl)-3-methyl-1,4-diazaspiro[5.5]undecane

4-(2,5-dichloro-4-methylphenyl)-3-methyl-1,4-diazaspiro[5.5]undecane (PubChem CID 104728489) has the molecular formula C17H24Cl2N2 and a molecular weight of 327.30 g/mol. Its IUPAC name is 4-(2,5-dichloro-4-methylphenyl)-3-methyl-1,4-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name4-(2,5-dichloro-4-methylphenyl)-3-methyl-1,4-diazaspiro[5.5]undecane
PubChem CID104728489
Molecular FormulaC17H24Cl2N2
Molecular Weight327.30 g/mol
Exact Mass326.13
IUPAC Name4-(2,5-dichloro-4-methylphenyl)-3-methyl-1,4-diazaspiro[5.5]undecane
SMILESCc1cc(Cl)c(N2CC3(CCCCC3)NCC2C)cc1Cl
InChIInChI=1S/C17H24Cl2N2/c1-12-8-15(19)16(9-14(12)18)21-11-17(20-10-13(21)2)6-4-3-5-7-17/h8-9,13,20H,3-7,10-11H2,1-2H3
InChIKeyQBTBMIAOVLAADZ-UHFFFAOYSA-N
XLogP4.80
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.30
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

9-(4-bromo-2-chlorophenyl)-8-methyl-6,9-diazaspiro[4.5]decane
CID 64935889
4-(4-chloro-2-iodophenyl)-3-methyl-1,4-diazaspiro[5.5]undecane
CID 107640021
4-(2-chloro-6-methylphenyl)-3-methyl-1,4-diazaspiro[5.5]undecane
CID 66252023
4-(2-bromo-3-chlorophenyl)-3-methyl-1,4-diazaspiro[5.5]undecane
CID 103481704
9-(2-chloro-6-methylphenyl)-8-methyl-6,9-diazaspiro[4.5]decane
CID 66254919
9-(4-chloro-2-fluorophenyl)-8-methyl-6,9-diazaspiro[4.5]decane
CID 64947975
4-(4-bromo-3-chlorophenyl)-3-methyl-1,4-diazaspiro[5.5]undecane
CID 107617374
4-(4-fluoro-2-iodophenyl)-3-methyl-1,4-diazaspiro[5.5]undecane
CID 79772370
4-(2,4-dibromophenyl)-3-methyl-1,4-diazaspiro[5.5]undecane
CID 64946246
9-(4-chlorophenyl)-8-methyl-6,9-diazaspiro[4.5]decane
CID 64933705
9-(2-chloro-4,6-difluorophenyl)-8-methyl-6,9-diazaspiro[4.5]decane
CID 83082636
1-(2-chloro-4-fluoro-5-methylphenyl)-2,5,5-trimethylpiperazine
CID 112734719

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dichloro-4-methylphenyl)-3-methyl-1,4-diazaspiro[5.5]undecane?
The IUPAC name of 4-(2,5-dichloro-4-methylphenyl)-3-methyl-1,4-diazaspiro[5.5]undecane (CID 104728489) is 4-(2,5-dichloro-4-methylphenyl)-3-methyl-1,4-diazaspiro[5.5]undecane.
What is the SMILES notation for 4-(2,5-dichloro-4-methylphenyl)-3-methyl-1,4-diazaspiro[5.5]undecane?
The canonical SMILES for 4-(2,5-dichloro-4-methylphenyl)-3-methyl-1,4-diazaspiro[5.5]undecane is Cc1cc(Cl)c(N2CC3(CCCCC3)NCC2C)cc1Cl.
What is the InChIKey of 4-(2,5-dichloro-4-methylphenyl)-3-methyl-1,4-diazaspiro[5.5]undecane?
The InChIKey is QBTBMIAOVLAADZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24Cl2N2/c1-12-8-15(19)16(9-14(12)18)21-11-17(20-10-13(21)2)6-4-3-5-7-17/h8-9,13,20H,3-7,10-11H2,1-2H3.
What are the key properties of 4-(2,5-dichloro-4-methylphenyl)-3-methyl-1,4-diazaspiro[5.5]undecane?
4-(2,5-dichloro-4-methylphenyl)-3-methyl-1,4-diazaspiro[5.5]undecane has a molecular weight of 327.30 g/mol, XLogP of 4.80, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dichloro-4-methylphenyl)-3-methyl-1,4-diazaspiro[5.5]undecane is sourced from PubChem (CID 104728489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).