4-[1-[[1-(4-bromophenyl)sulfonylpiperidin-4-yl]methyl]piperidin-4-yl]pyridine

C22H28BrN3O2S — CID 18328899

IUPAC4-[1-[[1-(4-bromophenyl)sulfonylpiperidin-4-yl]methyl]piperidin-4-yl]pyridine
SMILESO=S(=O)(c1ccc(Br)cc1)N1CCC(CN2CCC(c3ccncc3)CC2)CC1
InChIInChI=1S/C22H28BrN3O2S/c23-21-1-3-22(4-2-21)29(27,28)26-15-7-18(8-16-26)17-25-13-9-20(10-14-25)19-5-11-24-12-6-19/h1-6,11-12,18,20H,7-10,13-17H2
InChIKeyBEZCWUDCXLEJDF-UHFFFAOYSA-N
MW478.46 g/mol
LogP4.12
Rot. Bonds5

About 4-[1-[[1-(4-bromophenyl)sulfonylpiperidin-4-yl]methyl]piperidin-4-yl]pyridine

4-[1-[[1-(4-bromophenyl)sulfonylpiperidin-4-yl]methyl]piperidin-4-yl]pyridine (PubChem CID 18328899) has the molecular formula C22H28BrN3O2S and a molecular weight of 478.46 g/mol. Its IUPAC name is 4-[1-[[1-(4-bromophenyl)sulfonylpiperidin-4-yl]methyl]piperidin-4-yl]pyridine.

Molecular Properties

Compound Name4-[1-[[1-(4-bromophenyl)sulfonylpiperidin-4-yl]methyl]piperidin-4-yl]pyridine
PubChem CID18328899
Molecular FormulaC22H28BrN3O2S
Molecular Weight478.46 g/mol
Exact Mass477.11
IUPAC Name4-[1-[[1-(4-bromophenyl)sulfonylpiperidin-4-yl]methyl]piperidin-4-yl]pyridine
SMILESO=S(=O)(c1ccc(Br)cc1)N1CCC(CN2CCC(c3ccncc3)CC2)CC1
InChIInChI=1S/C22H28BrN3O2S/c23-21-1-3-22(4-2-21)29(27,28)26-15-7-18(8-16-26)17-25-13-9-20(10-14-25)19-5-11-24-12-6-19/h1-6,11-12,18,20H,7-10,13-17H2
InChIKeyBEZCWUDCXLEJDF-UHFFFAOYSA-N
XLogP4.12
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.46
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[1-(1H-pyrazol-4-ylsulfonyl)piperidin-4-yl]pyridine
CID 95824755
4-[1-(piperidin-4-ylmethyl)piperidin-4-yl]pyridine
CID 18328928
[1-(4-bromophenyl)sulfonylpiperidin-4-yl]methanamine
CID 43605295
1-(4-bromophenyl)sulfonyl-4-methylpiperidine
CID 3118654
formic acid;4-[1-(4-propan-2-yloxyphenyl)sulfonylpiperidin-4-yl]pyridine
CID 171678480
3-(bromomethyl)-1-(4-bromophenyl)sulfonylpyrrolidine
CID 80675386
4-[1-[(4-pyridin-4-ylpiperidin-1-yl)methyl]piperidin-4-yl]pyridine
CID 59705532
1-(4-bromophenyl)sulfonyl-4-ethoxypiperidine
CID 61217397
4-[1-(cyclobutylmethylsulfonyl)piperidin-4-yl]pyridine
CID 126809932
1-[[1-(4-tert-butylphenyl)sulfonylpiperidin-4-yl]methyl]-4-methylpiperidine
CID 46287342
2-[1-(4-bromophenyl)sulfonylpiperidin-4-yl]-3-methylpyridine
CID 68549920
1-(cyclopropylmethyl)-4-[4-(trifluoromethyl)phenyl]sulfonylpiperazine
CID 87024873

Frequently Asked Questions

What is the IUPAC name of 4-[1-[[1-(4-bromophenyl)sulfonylpiperidin-4-yl]methyl]piperidin-4-yl]pyridine?
The IUPAC name of 4-[1-[[1-(4-bromophenyl)sulfonylpiperidin-4-yl]methyl]piperidin-4-yl]pyridine (CID 18328899) is 4-[1-[[1-(4-bromophenyl)sulfonylpiperidin-4-yl]methyl]piperidin-4-yl]pyridine.
What is the SMILES notation for 4-[1-[[1-(4-bromophenyl)sulfonylpiperidin-4-yl]methyl]piperidin-4-yl]pyridine?
The canonical SMILES for 4-[1-[[1-(4-bromophenyl)sulfonylpiperidin-4-yl]methyl]piperidin-4-yl]pyridine is O=S(=O)(c1ccc(Br)cc1)N1CCC(CN2CCC(c3ccncc3)CC2)CC1.
What is the InChIKey of 4-[1-[[1-(4-bromophenyl)sulfonylpiperidin-4-yl]methyl]piperidin-4-yl]pyridine?
The InChIKey is BEZCWUDCXLEJDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28BrN3O2S/c23-21-1-3-22(4-2-21)29(27,28)26-15-7-18(8-16-26)17-25-13-9-20(10-14-25)19-5-11-24-12-6-19/h1-6,11-12,18,20H,7-10,13-17H2.
What are the key properties of 4-[1-[[1-(4-bromophenyl)sulfonylpiperidin-4-yl]methyl]piperidin-4-yl]pyridine?
4-[1-[[1-(4-bromophenyl)sulfonylpiperidin-4-yl]methyl]piperidin-4-yl]pyridine has a molecular weight of 478.46 g/mol, XLogP of 4.12, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[[1-(4-bromophenyl)sulfonylpiperidin-4-yl]methyl]piperidin-4-yl]pyridine is sourced from PubChem (CID 18328899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).