4-(4-bromophenyl)-3-propan-2-yl-1,4-diazaspiro[5.5]undecane

C18H27BrN2 — CID 64935285

IUPAC4-(4-bromophenyl)-3-propan-2-yl-1,4-diazaspiro[5.5]undecane
SMILESCC(C)C1CNC2(CCCCC2)CN1c1ccc(Br)cc1
InChIInChI=1S/C18H27BrN2/c1-14(2)17-12-20-18(10-4-3-5-11-18)13-21(17)16-8-6-15(19)7-9-16/h6-9,14,17,20H,3-5,10-13H2,1-2H3
InChIKeyYEKYSINJOWGEJG-UHFFFAOYSA-N
MW351.33 g/mol
LogP4.59
Rot. Bonds2

About 4-(4-bromophenyl)-3-propan-2-yl-1,4-diazaspiro[5.5]undecane

4-(4-bromophenyl)-3-propan-2-yl-1,4-diazaspiro[5.5]undecane (PubChem CID 64935285) has the molecular formula C18H27BrN2 and a molecular weight of 351.33 g/mol. Its IUPAC name is 4-(4-bromophenyl)-3-propan-2-yl-1,4-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name4-(4-bromophenyl)-3-propan-2-yl-1,4-diazaspiro[5.5]undecane
PubChem CID64935285
Molecular FormulaC18H27BrN2
Molecular Weight351.33 g/mol
Exact Mass350.14
IUPAC Name4-(4-bromophenyl)-3-propan-2-yl-1,4-diazaspiro[5.5]undecane
SMILESCC(C)C1CNC2(CCCCC2)CN1c1ccc(Br)cc1
InChIInChI=1S/C18H27BrN2/c1-14(2)17-12-20-18(10-4-3-5-11-18)13-21(17)16-8-6-15(19)7-9-16/h6-9,14,17,20H,3-5,10-13H2,1-2H3
InChIKeyYEKYSINJOWGEJG-UHFFFAOYSA-N
XLogP4.59
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.33
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(4-chlorophenyl)-3-propan-2-yl-1,4-diazaspiro[5.5]undecane
CID 64934091
9-(3,4-dimethylphenyl)-8-propan-2-yl-6,9-diazaspiro[4.5]decane
CID 64931469
4-(2-bromophenyl)-3-propan-2-yl-1,4-diazaspiro[5.5]undecane
CID 64934711
4-(3-fluorophenyl)-3-propan-2-yl-1,4-diazaspiro[5.5]undecane
CID 64932927
9-(3-methylphenyl)-8-propan-2-yl-6,9-diazaspiro[4.5]decane
CID 64932826
1-(4-bromophenyl)-5-cyclopropyl-5-methyl-2-propan-2-ylpiperazine
CID 64933548
9-(3-fluoro-5-methylphenyl)-8-propan-2-yl-6,9-diazaspiro[4.5]decane
CID 79046276
9-(1-methylpyrazol-3-yl)-8-propan-2-yl-6,9-diazaspiro[4.5]decane
CID 79785950
9-(4-chloro-2-fluorophenyl)-8-propan-2-yl-6,9-diazaspiro[4.5]decane
CID 64948555
9-(4-methoxyphenyl)-8-methyl-6,9-diazaspiro[4.5]decane
CID 64930155
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

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromophenyl)-3-propan-2-yl-1,4-diazaspiro[5.5]undecane?
The IUPAC name of 4-(4-bromophenyl)-3-propan-2-yl-1,4-diazaspiro[5.5]undecane (CID 64935285) is 4-(4-bromophenyl)-3-propan-2-yl-1,4-diazaspiro[5.5]undecane.
What is the SMILES notation for 4-(4-bromophenyl)-3-propan-2-yl-1,4-diazaspiro[5.5]undecane?
The canonical SMILES for 4-(4-bromophenyl)-3-propan-2-yl-1,4-diazaspiro[5.5]undecane is CC(C)C1CNC2(CCCCC2)CN1c1ccc(Br)cc1.
What is the InChIKey of 4-(4-bromophenyl)-3-propan-2-yl-1,4-diazaspiro[5.5]undecane?
The InChIKey is YEKYSINJOWGEJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27BrN2/c1-14(2)17-12-20-18(10-4-3-5-11-18)13-21(17)16-8-6-15(19)7-9-16/h6-9,14,17,20H,3-5,10-13H2,1-2H3.
What are the key properties of 4-(4-bromophenyl)-3-propan-2-yl-1,4-diazaspiro[5.5]undecane?
4-(4-bromophenyl)-3-propan-2-yl-1,4-diazaspiro[5.5]undecane has a molecular weight of 351.33 g/mol, XLogP of 4.59, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromophenyl)-3-propan-2-yl-1,4-diazaspiro[5.5]undecane is sourced from PubChem (CID 64935285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).