[1-[2-(4-bromophenyl)sulfonylethyl]piperidin-3-yl]methanol

C14H20BrNO3S — CID 60642353

IUPAC[1-[2-(4-bromophenyl)sulfonylethyl]piperidin-3-yl]methanol
SMILESO=S(=O)(CCN1CCCC(CO)C1)c1ccc(Br)cc1
InChIInChI=1S/C14H20BrNO3S/c15-13-3-5-14(6-4-13)20(18,19)9-8-16-7-1-2-12(10-16)11-17/h3-6,12,17H,1-2,7-11H2
InChIKeyPALWNEVIULVECR-UHFFFAOYSA-N
MW362.29 g/mol
LogP1.93
Rot. Bonds5

About [1-[2-(4-bromophenyl)sulfonylethyl]piperidin-3-yl]methanol

[1-[2-(4-bromophenyl)sulfonylethyl]piperidin-3-yl]methanol (PubChem CID 60642353) has the molecular formula C14H20BrNO3S and a molecular weight of 362.29 g/mol. Its IUPAC name is [1-[2-(4-bromophenyl)sulfonylethyl]piperidin-3-yl]methanol.

Molecular Properties

Compound Name[1-[2-(4-bromophenyl)sulfonylethyl]piperidin-3-yl]methanol
PubChem CID60642353
Molecular FormulaC14H20BrNO3S
Molecular Weight362.29 g/mol
Exact Mass361.03
IUPAC Name[1-[2-(4-bromophenyl)sulfonylethyl]piperidin-3-yl]methanol
SMILESO=S(=O)(CCN1CCCC(CO)C1)c1ccc(Br)cc1
InChIInChI=1S/C14H20BrNO3S/c15-13-3-5-14(6-4-13)20(18,19)9-8-16-7-1-2-12(10-16)11-17/h3-6,12,17H,1-2,7-11H2
InChIKeyPALWNEVIULVECR-UHFFFAOYSA-N
XLogP1.93
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
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
(3S)-1-[2-(4-bromophenyl)sulfonylethyl]piperidine-3-carboxamide
CID 9305070
(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]-3-methylpiperidin-4-ol
CID 114681390
1-[2-(4-bromophenyl)sulfonylethyl]pyrrolidine-3-carboxylic acid
CID 63031361
1-[2-(4-bromophenyl)sulfonylethyl]-1,4-diazepane
CID 43162521
(3R)-1-[2-(4-chlorophenyl)sulfonylethyl]piperidin-3-ol
CID 39894569
1-[2-(4-chlorophenyl)sulfonylethyl]piperidin-3-ol
CID 42913567
4-[2-[3-(methoxymethyl)piperidin-1-yl]ethylsulfonyl]benzonitrile
CID 71980754
[1-[2-(4-tert-butylphenyl)sulfonylethyl]piperidin-4-yl]methanol
CID 111564963
1-[2-(4-bromophenyl)sulfonylethyl]-4-methylpyrrolidine-3-carboxylic acid
CID 63720539
[1-[[5-(4-bromophenyl)furan-2-yl]methyl]piperidin-3-yl]methanol
CID 60642590

Frequently Asked Questions

What is the IUPAC name of [1-[2-(4-bromophenyl)sulfonylethyl]piperidin-3-yl]methanol?
The IUPAC name of [1-[2-(4-bromophenyl)sulfonylethyl]piperidin-3-yl]methanol (CID 60642353) is [1-[2-(4-bromophenyl)sulfonylethyl]piperidin-3-yl]methanol.
What is the SMILES notation for [1-[2-(4-bromophenyl)sulfonylethyl]piperidin-3-yl]methanol?
The canonical SMILES for [1-[2-(4-bromophenyl)sulfonylethyl]piperidin-3-yl]methanol is O=S(=O)(CCN1CCCC(CO)C1)c1ccc(Br)cc1.
What is the InChIKey of [1-[2-(4-bromophenyl)sulfonylethyl]piperidin-3-yl]methanol?
The InChIKey is PALWNEVIULVECR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrNO3S/c15-13-3-5-14(6-4-13)20(18,19)9-8-16-7-1-2-12(10-16)11-17/h3-6,12,17H,1-2,7-11H2.
What are the key properties of [1-[2-(4-bromophenyl)sulfonylethyl]piperidin-3-yl]methanol?
[1-[2-(4-bromophenyl)sulfonylethyl]piperidin-3-yl]methanol has a molecular weight of 362.29 g/mol, XLogP of 1.93, 5 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]piperidin-3-yl]methanol is sourced from PubChem (CID 60642353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).