1-[(4-bromophenyl)methyl]-3-methyl-1,4-diazaspiro[5.5]undecane

C17H25BrN2 — CID 64845931

IUPAC1-[(4-bromophenyl)methyl]-3-methyl-1,4-diazaspiro[5.5]undecane
SMILESCC1CN(Cc2ccc(Br)cc2)C2(CCCCC2)CN1
InChIInChI=1S/C17H25BrN2/c1-14-11-20(12-15-5-7-16(18)8-6-15)17(13-19-14)9-3-2-4-10-17/h5-8,14,19H,2-4,9-13H2,1H3
InChIKeyUNBILIQJIFHALW-UHFFFAOYSA-N
MW337.31 g/mol
LogP3.95
Rot. Bonds2

About 1-[(4-bromophenyl)methyl]-3-methyl-1,4-diazaspiro[5.5]undecane

1-[(4-bromophenyl)methyl]-3-methyl-1,4-diazaspiro[5.5]undecane (PubChem CID 64845931) has the molecular formula C17H25BrN2 and a molecular weight of 337.31 g/mol. Its IUPAC name is 1-[(4-bromophenyl)methyl]-3-methyl-1,4-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name1-[(4-bromophenyl)methyl]-3-methyl-1,4-diazaspiro[5.5]undecane
PubChem CID64845931
Molecular FormulaC17H25BrN2
Molecular Weight337.31 g/mol
Exact Mass336.12
IUPAC Name1-[(4-bromophenyl)methyl]-3-methyl-1,4-diazaspiro[5.5]undecane
SMILESCC1CN(Cc2ccc(Br)cc2)C2(CCCCC2)CN1
InChIInChI=1S/C17H25BrN2/c1-14-11-20(12-15-5-7-16(18)8-6-15)17(13-19-14)9-3-2-4-10-17/h5-8,14,19H,2-4,9-13H2,1H3
InChIKeyUNBILIQJIFHALW-UHFFFAOYSA-N
XLogP3.95
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 ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-[(4-bromophenyl)methyl]-8-methyl-6,9-diazaspiro[4.5]decane
CID 64845332
1-[(4-bromophenyl)methyl]-2,2,5-trimethylpiperazine
CID 64844916
6-[(5-bromothiophen-2-yl)methyl]-8-methyl-6,9-diazaspiro[4.5]decane
CID 64845142
6-[(2,6-difluorophenyl)methyl]-8-methyl-6,9-diazaspiro[4.5]decane
CID 114934563
6-[(4-chlorophenyl)methyl]-8-propan-2-yl-6,9-diazaspiro[4.5]decane
CID 64838297
8-cyclopropyl-6-[(4-methylphenyl)methyl]-6,9-diazaspiro[4.5]decane
CID 64859965
5-[(3-methyl-1,4-diazaspiro[5.5]undecan-1-yl)methyl]-1,3-thiazole
CID 112644834
6-[(4-iodophenyl)methyl]-8-propyl-6,9-diazaspiro[4.5]decane
CID 65490573
6-[(2,5-difluorophenyl)methyl]-8-methyl-6,9-diazaspiro[4.5]decane
CID 64844149
6-[(3-bromophenyl)methyl]-8-propan-2-yl-6,9-diazaspiro[4.5]decane
CID 64837716
6-benzyl-8-phenyl-6,9-diazaspiro[4.5]decane
CID 64877476
6-benzyl-8-(2-methylpropyl)-6,9-diazaspiro[4.5]decane
CID 64848189

Frequently Asked Questions

What is the IUPAC name of 1-[(4-bromophenyl)methyl]-3-methyl-1,4-diazaspiro[5.5]undecane?
The IUPAC name of 1-[(4-bromophenyl)methyl]-3-methyl-1,4-diazaspiro[5.5]undecane (CID 64845931) is 1-[(4-bromophenyl)methyl]-3-methyl-1,4-diazaspiro[5.5]undecane.
What is the SMILES notation for 1-[(4-bromophenyl)methyl]-3-methyl-1,4-diazaspiro[5.5]undecane?
The canonical SMILES for 1-[(4-bromophenyl)methyl]-3-methyl-1,4-diazaspiro[5.5]undecane is CC1CN(Cc2ccc(Br)cc2)C2(CCCCC2)CN1.
What is the InChIKey of 1-[(4-bromophenyl)methyl]-3-methyl-1,4-diazaspiro[5.5]undecane?
The InChIKey is UNBILIQJIFHALW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25BrN2/c1-14-11-20(12-15-5-7-16(18)8-6-15)17(13-19-14)9-3-2-4-10-17/h5-8,14,19H,2-4,9-13H2,1H3.
What are the key properties of 1-[(4-bromophenyl)methyl]-3-methyl-1,4-diazaspiro[5.5]undecane?
1-[(4-bromophenyl)methyl]-3-methyl-1,4-diazaspiro[5.5]undecane has a molecular weight of 337.31 g/mol, XLogP of 3.95, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-bromophenyl)methyl]-3-methyl-1,4-diazaspiro[5.5]undecane is sourced from PubChem (CID 64845931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).