1-[[1-(4-bromophenyl)sulfonylpiperidin-4-yl]methyl]-4-methylpiperidine

C18H27BrN2O2S — CID 46287337

IUPAC1-[[1-(4-bromophenyl)sulfonylpiperidin-4-yl]methyl]-4-methylpiperidine
SMILESCC1CCN(CC2CCN(S(=O)(=O)c3ccc(Br)cc3)CC2)CC1
InChIInChI=1S/C18H27BrN2O2S/c1-15-6-10-20(11-7-15)14-16-8-12-21(13-9-16)24(22,23)18-4-2-17(19)3-5-18/h2-5,15-16H,6-14H2,1H3
InChIKeyIQXBNWILSZHNJX-UHFFFAOYSA-N
MW415.40 g/mol
LogP3.58
Rot. Bonds4

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

1-[[1-(4-bromophenyl)sulfonylpiperidin-4-yl]methyl]-4-methylpiperidine (PubChem CID 46287337) has the molecular formula C18H27BrN2O2S and a molecular weight of 415.40 g/mol. Its IUPAC name is 1-[[1-(4-bromophenyl)sulfonylpiperidin-4-yl]methyl]-4-methylpiperidine.

Molecular Properties

Compound Name1-[[1-(4-bromophenyl)sulfonylpiperidin-4-yl]methyl]-4-methylpiperidine
PubChem CID46287337
Molecular FormulaC18H27BrN2O2S
Molecular Weight415.40 g/mol
Exact Mass414.10
IUPAC Name1-[[1-(4-bromophenyl)sulfonylpiperidin-4-yl]methyl]-4-methylpiperidine
SMILESCC1CCN(CC2CCN(S(=O)(=O)c3ccc(Br)cc3)CC2)CC1
InChIInChI=1S/C18H27BrN2O2S/c1-15-6-10-20(11-7-15)14-16-8-12-21(13-9-16)24(22,23)18-4-2-17(19)3-5-18/h2-5,15-16H,6-14H2,1H3
InChIKeyIQXBNWILSZHNJX-UHFFFAOYSA-N
XLogP3.58
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.40
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[[1-(4-bromophenyl)sulfonylpiperidin-4-yl]methyl]-4-methylpiperidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1'-((4-Bromo-2-ethylphenyl)sulfonyl)-4-methyl-1,4'-bipiperidine
CID 118308402
1-[1-(4-Bromophenyl)sulfonylpiperidin-4-yl]-4-prop-2-ynylpiperidine
CID 118314258
1-((4-Bromophenyl)sulfonyl)piperidine
CID 95051
1-(4-Bromophenylsulfonyl)-4-methylpiperazine
CID 710729
3,4-dibromo-N-methyl-N-[(2R)-4-(4-methylpiperidin-1-yl)butan-2-yl]benzenesulfonamide
CID 10552788
(R)-1-(2-(1-(3-bromo-benzenesulfonyl)-pyrrolidin-2-yl)-ethyl)-4-methyl piperidine
CID 10573876
1-[1-(3-Bromophenyl)sulfonylpiperidin-4-yl]-4-methylpiperidine
CID 118308357
4-Methyl-1'-(phenylsulfonyl)-1,4'-bipiperidine
CID 118308417
1'-((4-Bromophenyl)sulfonyl)-4-methyl-1,4'-bipiperidine
CID 118308433
1-[1-(2-Bromophenyl)sulfonylpiperidin-4-yl]-4-methylpiperidine
CID 118314262
1-[1-(4-Bromo-3,5-difluorophenyl)sulfonylpiperidin-4-yl]-4-methylpiperidine
CID 141659832
1-[1-(4-Bromo-3-chlorophenyl)sulfonylpiperidin-4-yl]-4-methylpiperidine
CID 141659838

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(4-bromophenyl)sulfonylpiperidin-4-yl]methyl]-4-methylpiperidine?
The IUPAC name of 1-[[1-(4-bromophenyl)sulfonylpiperidin-4-yl]methyl]-4-methylpiperidine (CID 46287337) is 1-[[1-(4-bromophenyl)sulfonylpiperidin-4-yl]methyl]-4-methylpiperidine.
What is the SMILES notation for 1-[[1-(4-bromophenyl)sulfonylpiperidin-4-yl]methyl]-4-methylpiperidine?
The canonical SMILES for 1-[[1-(4-bromophenyl)sulfonylpiperidin-4-yl]methyl]-4-methylpiperidine is CC1CCN(CC2CCN(S(=O)(=O)c3ccc(Br)cc3)CC2)CC1.
What is the InChIKey of 1-[[1-(4-bromophenyl)sulfonylpiperidin-4-yl]methyl]-4-methylpiperidine?
The InChIKey is IQXBNWILSZHNJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27BrN2O2S/c1-15-6-10-20(11-7-15)14-16-8-12-21(13-9-16)24(22,23)18-4-2-17(19)3-5-18/h2-5,15-16H,6-14H2,1H3.
What are the key properties of 1-[[1-(4-bromophenyl)sulfonylpiperidin-4-yl]methyl]-4-methylpiperidine?
1-[[1-(4-bromophenyl)sulfonylpiperidin-4-yl]methyl]-4-methylpiperidine has a molecular weight of 415.40 g/mol, XLogP of 3.58, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(4-bromophenyl)sulfonylpiperidin-4-yl]methyl]-4-methylpiperidine is sourced from PubChem (CID 46287337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).