1-[2-(4-bromophenyl)sulfonylethyl]-3-methylpiperidin-4-ol

C14H20BrNO3S — CID 114681390

IUPAC1-[2-(4-bromophenyl)sulfonylethyl]-3-methylpiperidin-4-ol
SMILESCC1CN(CCS(=O)(=O)c2ccc(Br)cc2)CCC1O
InChIInChI=1S/C14H20BrNO3S/c1-11-10-16(7-6-14(11)17)8-9-20(18,19)13-4-2-12(15)3-5-13/h2-5,11,14,17H,6-10H2,1H3
InChIKeyBUNKPOFCCCFMKR-UHFFFAOYSA-N
MW362.29 g/mol
LogP1.93
Rot. Bonds4

About 1-[2-(4-bromophenyl)sulfonylethyl]-3-methylpiperidin-4-ol

1-[2-(4-bromophenyl)sulfonylethyl]-3-methylpiperidin-4-ol (PubChem CID 114681390) has the molecular formula C14H20BrNO3S and a molecular weight of 362.29 g/mol. Its IUPAC name is 1-[2-(4-bromophenyl)sulfonylethyl]-3-methylpiperidin-4-ol.

Molecular Properties

Compound Name1-[2-(4-bromophenyl)sulfonylethyl]-3-methylpiperidin-4-ol
PubChem CID114681390
Molecular FormulaC14H20BrNO3S
Molecular Weight362.29 g/mol
Exact Mass361.03
IUPAC Name1-[2-(4-bromophenyl)sulfonylethyl]-3-methylpiperidin-4-ol
SMILESCC1CN(CCS(=O)(=O)c2ccc(Br)cc2)CCC1O
InChIInChI=1S/C14H20BrNO3S/c1-11-10-16(7-6-14(11)17)8-9-20(18,19)13-4-2-12(15)3-5-13/h2-5,11,14,17H,6-10H2,1H3
InChIKeyBUNKPOFCCCFMKR-UHFFFAOYSA-N
XLogP1.93
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.29
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-1-[2-(4-bromophenyl)sulfonylethyl]piperidin-3-ol
CID 94156277
1-[2-(4-bromophenyl)sulfonylethyl]-4-methylpyrrolidine-3-carboxylic acid
CID 63720539
1-[2-(4-bromophenyl)sulfonylethyl]pyrrolidine-3-carboxylic acid
CID 63031361
(9aS)-2-[2-(4-bromophenyl)sulfonylethyl]-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine
CID 124779737
[1-[2-(4-bromophenyl)sulfonylethyl]piperidin-3-yl]methanol
CID 60642353
(3S)-1-[2-(4-bromophenyl)sulfonylethyl]piperidine-3-carboxamide
CID 9305070
3-[2-(4-hydroxy-3-methylpiperidin-1-yl)ethylsulfonyl]benzonitrile
CID 114502321
1-[1-[2-(4-bromophenyl)sulfonylethyl]piperidin-4-yl]ethanamine;hydrochloride
CID 119920924
8-[2-(4-bromophenyl)sulfonylethyl]-8-azabicyclo[3.2.1]octan-3-ol
CID 63768885
(3R)-1-[2-(4-chlorophenyl)sulfonylethyl]piperidin-3-ol
CID 39894569
1-[2-(4-chlorophenyl)sulfonylethyl]piperidin-3-ol
CID 42913567
1-[2-(4-bromophenyl)sulfonylethyl]-1,4-diazepane
CID 43162521

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-bromophenyl)sulfonylethyl]-3-methylpiperidin-4-ol?
The IUPAC name of 1-[2-(4-bromophenyl)sulfonylethyl]-3-methylpiperidin-4-ol (CID 114681390) is 1-[2-(4-bromophenyl)sulfonylethyl]-3-methylpiperidin-4-ol.
What is the SMILES notation for 1-[2-(4-bromophenyl)sulfonylethyl]-3-methylpiperidin-4-ol?
The canonical SMILES for 1-[2-(4-bromophenyl)sulfonylethyl]-3-methylpiperidin-4-ol is CC1CN(CCS(=O)(=O)c2ccc(Br)cc2)CCC1O.
What is the InChIKey of 1-[2-(4-bromophenyl)sulfonylethyl]-3-methylpiperidin-4-ol?
The InChIKey is BUNKPOFCCCFMKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrNO3S/c1-11-10-16(7-6-14(11)17)8-9-20(18,19)13-4-2-12(15)3-5-13/h2-5,11,14,17H,6-10H2,1H3.
What are the key properties of 1-[2-(4-bromophenyl)sulfonylethyl]-3-methylpiperidin-4-ol?
1-[2-(4-bromophenyl)sulfonylethyl]-3-methylpiperidin-4-ol has a molecular weight of 362.29 g/mol, XLogP of 1.93, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-bromophenyl)sulfonylethyl]-3-methylpiperidin-4-ol is sourced from PubChem (CID 114681390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).