4-(4-bromophenyl)-1-methylsulfonylpiperidin-4-ol

C12H16BrNO3S — CID 18723205

IUPAC4-(4-bromophenyl)-1-methylsulfonylpiperidin-4-ol
SMILESCS(=O)(=O)N1CCC(O)(c2ccc(Br)cc2)CC1
InChIInChI=1S/C12H16BrNO3S/c1-18(16,17)14-8-6-12(15,7-9-14)10-2-4-11(13)5-3-10/h2-5,15H,6-9H2,1H3
InChIKeyWLMZJEQKCGIPLP-UHFFFAOYSA-N
MW334.24 g/mol
LogP1.69
Rot. Bonds2

About 4-(4-bromophenyl)-1-methylsulfonylpiperidin-4-ol

4-(4-bromophenyl)-1-methylsulfonylpiperidin-4-ol (PubChem CID 18723205) has the molecular formula C12H16BrNO3S and a molecular weight of 334.24 g/mol. Its IUPAC name is 4-(4-bromophenyl)-1-methylsulfonylpiperidin-4-ol.

Molecular Properties

Compound Name4-(4-bromophenyl)-1-methylsulfonylpiperidin-4-ol
PubChem CID18723205
Molecular FormulaC12H16BrNO3S
Molecular Weight334.24 g/mol
Exact Mass333.00
IUPAC Name4-(4-bromophenyl)-1-methylsulfonylpiperidin-4-ol
SMILESCS(=O)(=O)N1CCC(O)(c2ccc(Br)cc2)CC1
InChIInChI=1S/C12H16BrNO3S/c1-18(16,17)14-8-6-12(15,7-9-14)10-2-4-11(13)5-3-10/h2-5,15H,6-9H2,1H3
InChIKeyWLMZJEQKCGIPLP-UHFFFAOYSA-N
XLogP1.69
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.24
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-Bromophenyl)-4-hydroxypiperidine
CID 93911
3-(4-Bromo-phenyl)-1-morpholin-4-yl-hexan-3-ol
CID 6603534
4-(4-Bromophenyl)-3-[(4-bromophenyl)-hydroxymethyl]-1-methylpiperidin-4-ol;methanesulfonic acid
CID 14508077
4-(4-Bromophenyl)piperidin-4-ol hydrochloride
CID 18972306
4-(4-Bromophenyl)-4-hydroxypiperidine-1-sulfonyl fluoride
CID 177800497
(4-Bromophenyl)-(1-methylpiperidin-4-yl)-phenylmethanol
CID 402102
3-(4-Bromophenyl)-1-morpholin-4-ylhexan-3-ol
CID 3125358
N-[(2R)-2-(4-bromophenyl)-2-hydroxybutyl]ethanesulfonamide
CID 97600694
4-(4-Bromo-2,5-difluorophenyl)-1-methyl-4-piperidinol
CID 14770831
4-(4-Bromo-3-fluorophenyl)-1-tert-butylpiperidin-4-ol
CID 132009815
4-(4-Bromo-2-fluorophenyl)-1-methylpiperidin-4-ol
CID 155415164
4-(4-Bromo-2-fluorophenyl)-1-methylsulfonylpiperidin-4-ol
CID 170552593

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromophenyl)-1-methylsulfonylpiperidin-4-ol?
The IUPAC name of 4-(4-bromophenyl)-1-methylsulfonylpiperidin-4-ol (CID 18723205) is 4-(4-bromophenyl)-1-methylsulfonylpiperidin-4-ol.
What is the SMILES notation for 4-(4-bromophenyl)-1-methylsulfonylpiperidin-4-ol?
The canonical SMILES for 4-(4-bromophenyl)-1-methylsulfonylpiperidin-4-ol is CS(=O)(=O)N1CCC(O)(c2ccc(Br)cc2)CC1.
What is the InChIKey of 4-(4-bromophenyl)-1-methylsulfonylpiperidin-4-ol?
The InChIKey is WLMZJEQKCGIPLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrNO3S/c1-18(16,17)14-8-6-12(15,7-9-14)10-2-4-11(13)5-3-10/h2-5,15H,6-9H2,1H3.
What are the key properties of 4-(4-bromophenyl)-1-methylsulfonylpiperidin-4-ol?
4-(4-bromophenyl)-1-methylsulfonylpiperidin-4-ol has a molecular weight of 334.24 g/mol, XLogP of 1.69, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromophenyl)-1-methylsulfonylpiperidin-4-ol is sourced from PubChem (CID 18723205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).