2-[1-(4-bromophenyl)ethyl]-2,8-diazaspiro[5.5]undecane

C17H25BrN2 — CID 102849380

IUPAC2-[1-(4-bromophenyl)ethyl]-2,8-diazaspiro[5.5]undecane
SMILESCC(c1ccc(Br)cc1)N1CCCC2(CCCNC2)C1
InChIInChI=1S/C17H25BrN2/c1-14(15-4-6-16(18)7-5-15)20-11-3-9-17(13-20)8-2-10-19-12-17/h4-7,14,19H,2-3,8-13H2,1H3
InChIKeyRYWUERVAEMOYQF-UHFFFAOYSA-N
MW337.31 g/mol
LogP3.98
Rot. Bonds2

About 2-[1-(4-bromophenyl)ethyl]-2,8-diazaspiro[5.5]undecane

2-[1-(4-bromophenyl)ethyl]-2,8-diazaspiro[5.5]undecane (PubChem CID 102849380) has the molecular formula C17H25BrN2 and a molecular weight of 337.31 g/mol. Its IUPAC name is 2-[1-(4-bromophenyl)ethyl]-2,8-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name2-[1-(4-bromophenyl)ethyl]-2,8-diazaspiro[5.5]undecane
PubChem CID102849380
Molecular FormulaC17H25BrN2
Molecular Weight337.31 g/mol
Exact Mass336.12
IUPAC Name2-[1-(4-bromophenyl)ethyl]-2,8-diazaspiro[5.5]undecane
SMILESCC(c1ccc(Br)cc1)N1CCCC2(CCCNC2)C1
InChIInChI=1S/C17H25BrN2/c1-14(15-4-6-16(18)7-5-15)20-11-3-9-17(13-20)8-2-10-19-12-17/h4-7,14,19H,2-3,8-13H2,1H3
InChIKeyRYWUERVAEMOYQF-UHFFFAOYSA-N
XLogP3.98
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.31
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-(2-fluorophenyl)ethyl]-2,8-diazaspiro[5.5]undecane
CID 102849330
1-[1-(4-bromophenyl)ethyl]-1,4-diazepane
CID 3804536
8-propan-2-yl-2,8-diazaspiro[5.6]dodecane
CID 168995740
2-[1-(5-fluoro-2-pyridinyl)ethyl]-2,8-diazaspiro[5.5]undecane
CID 102849368
1-[1-(4-bromophenyl)ethyl]pyrrolidine
CID 12738008
4-[1-(2,8-diazaspiro[5.5]undecan-2-yl)ethyl]-2-methyl-1,3-thiazole
CID 102849371
1-[1-(4-bromophenyl)ethyl]pyrrolidine;hydrochloride
CID 119032014
1-[1-(4-bromophenyl)ethyl]-4-[(3-methylpyrrolidin-3-yl)methyl]piperazine
CID 120903857
1-[1-(4-bromophenyl)ethyl]-3-ethyl-3-methylpiperazine
CID 64926326
2-(1-phenylbutan-2-yl)-2,8-diazaspiro[5.5]undecane
CID 102849402
2-(2-phenylpropyl)-2,8-diazaspiro[5.5]undecane
CID 102849255
1-[1-(4-bromophenyl)ethyl]-3-cyclopropyl-3-methylpiperazine
CID 64926142

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-bromophenyl)ethyl]-2,8-diazaspiro[5.5]undecane?
The IUPAC name of 2-[1-(4-bromophenyl)ethyl]-2,8-diazaspiro[5.5]undecane (CID 102849380) is 2-[1-(4-bromophenyl)ethyl]-2,8-diazaspiro[5.5]undecane.
What is the SMILES notation for 2-[1-(4-bromophenyl)ethyl]-2,8-diazaspiro[5.5]undecane?
The canonical SMILES for 2-[1-(4-bromophenyl)ethyl]-2,8-diazaspiro[5.5]undecane is CC(c1ccc(Br)cc1)N1CCCC2(CCCNC2)C1.
What is the InChIKey of 2-[1-(4-bromophenyl)ethyl]-2,8-diazaspiro[5.5]undecane?
The InChIKey is RYWUERVAEMOYQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25BrN2/c1-14(15-4-6-16(18)7-5-15)20-11-3-9-17(13-20)8-2-10-19-12-17/h4-7,14,19H,2-3,8-13H2,1H3.
What are the key properties of 2-[1-(4-bromophenyl)ethyl]-2,8-diazaspiro[5.5]undecane?
2-[1-(4-bromophenyl)ethyl]-2,8-diazaspiro[5.5]undecane has a molecular weight of 337.31 g/mol, XLogP of 3.98, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-bromophenyl)ethyl]-2,8-diazaspiro[5.5]undecane is sourced from PubChem (CID 102849380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).