1-[2,4-bis(methylsulfonyl)phenyl]piperidin-4-ol

C13H19NO5S2 — CID 22109063

IUPAC1-[2,4-bis(methylsulfonyl)phenyl]piperidin-4-ol
SMILESCS(=O)(=O)c1ccc(N2CCC(O)CC2)c(S(C)(=O)=O)c1
InChIInChI=1S/C13H19NO5S2/c1-20(16,17)11-3-4-12(13(9-11)21(2,18)19)14-7-5-10(15)6-8-14/h3-4,9-10,15H,5-8H2,1-2H3
InChIKeyQENGXVRXGCYAHB-UHFFFAOYSA-N
MW333.43 g/mol
LogP0.45
Rot. Bonds3

About 1-[2,4-bis(methylsulfonyl)phenyl]piperidin-4-ol

1-[2,4-bis(methylsulfonyl)phenyl]piperidin-4-ol (PubChem CID 22109063) has the molecular formula C13H19NO5S2 and a molecular weight of 333.43 g/mol. Its IUPAC name is 1-[2,4-bis(methylsulfonyl)phenyl]piperidin-4-ol.

Molecular Properties

Compound Name1-[2,4-bis(methylsulfonyl)phenyl]piperidin-4-ol
PubChem CID22109063
Molecular FormulaC13H19NO5S2
Molecular Weight333.43 g/mol
Exact Mass333.07
IUPAC Name1-[2,4-bis(methylsulfonyl)phenyl]piperidin-4-ol
SMILESCS(=O)(=O)c1ccc(N2CCC(O)CC2)c(S(C)(=O)=O)c1
InChIInChI=1S/C13H19NO5S2/c1-20(16,17)11-3-4-12(13(9-11)21(2,18)19)14-7-5-10(15)6-8-14/h3-4,9-10,15H,5-8H2,1-2H3
InChIKeyQENGXVRXGCYAHB-UHFFFAOYSA-N
XLogP0.45
TPSA91.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[2,4-bis(methylsulfonyl)phenyl]piperidin-3-ol
CID 47015654
1-[2,4-bis(methylsulfonyl)phenyl]-4-ethylpiperidine
CID 56797131
1-[2,4-bis(methylsulfonyl)phenyl]-4-methylazepane
CID 56800063
N-[1-[2,4-bis(methylsulfonyl)phenyl]piperidin-4-yl]cyclopropanecarboxamide
CID 47058432
N-[1-[2,4-bis(methylsulfonyl)phenyl]piperidin-4-yl]propanamide
CID 47058453
1-[2,4-bis(methylsulfonyl)phenyl]-3-methylpiperidine
CID 17408554
1-[4-[2,4-bis(methylsulfonyl)phenyl]piperazin-1-yl]-2-bromoethanone
CID 118513757
4-[2,4-bis(methylsulfonyl)phenyl]-2,6-dimethylmorpholine
CID 42926998
1-[2,4-bis(methylsulfonyl)phenyl]-4-(4-fluorophenyl)sulfonylpiperazine
CID 25329772
1-[2,4-bis(methylsulfonyl)phenyl]-1,4-diazepan-5-one
CID 56809674
[4-[2,4-bis(methylsulfonyl)phenyl]piperazin-1-yl]-(2-hydroxyphenyl)methanone
CID 55866133
(2R,4S)-1-[2,4-bis(methylsulfonyl)phenyl]-2,4-dimethylpiperidine
CID 95981451

Frequently Asked Questions

What is the IUPAC name of 1-[2,4-bis(methylsulfonyl)phenyl]piperidin-4-ol?
The IUPAC name of 1-[2,4-bis(methylsulfonyl)phenyl]piperidin-4-ol (CID 22109063) is 1-[2,4-bis(methylsulfonyl)phenyl]piperidin-4-ol.
What is the SMILES notation for 1-[2,4-bis(methylsulfonyl)phenyl]piperidin-4-ol?
The canonical SMILES for 1-[2,4-bis(methylsulfonyl)phenyl]piperidin-4-ol is CS(=O)(=O)c1ccc(N2CCC(O)CC2)c(S(C)(=O)=O)c1.
What is the InChIKey of 1-[2,4-bis(methylsulfonyl)phenyl]piperidin-4-ol?
The InChIKey is QENGXVRXGCYAHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO5S2/c1-20(16,17)11-3-4-12(13(9-11)21(2,18)19)14-7-5-10(15)6-8-14/h3-4,9-10,15H,5-8H2,1-2H3.
What are the key properties of 1-[2,4-bis(methylsulfonyl)phenyl]piperidin-4-ol?
1-[2,4-bis(methylsulfonyl)phenyl]piperidin-4-ol has a molecular weight of 333.43 g/mol, XLogP of 0.45, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,4-bis(methylsulfonyl)phenyl]piperidin-4-ol is sourced from PubChem (CID 22109063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).