4-[2-[(2R)-1-(1,3-dimethylpyrazol-4-yl)sulfonylpiperidin-2-yl]ethyl]phenol

C18H25N3O3S — CID 95706787

IUPAC4-[2-[(2R)-1-(1,3-dimethylpyrazol-4-yl)sulfonylpiperidin-2-yl]ethyl]phenol
SMILESCc1nn(C)cc1S(=O)(=O)N1CCCC[C@@H]1CCc1ccc(O)cc1
InChIInChI=1S/C18H25N3O3S/c1-14-18(13-20(2)19-14)25(23,24)21-12-4-3-5-16(21)9-6-15-7-10-17(22)11-8-15/h7-8,10-11,13,16,22H,3-6,9,12H2,1-2H3/t16-/m1/s1
InChIKeyIVRKMXJXTUCTTI-MRXNPFEDSA-N
MW363.48 g/mol
LogP2.61
Rot. Bonds5

About 4-[2-[(2R)-1-(1,3-dimethylpyrazol-4-yl)sulfonylpiperidin-2-yl]ethyl]phenol

4-[2-[(2R)-1-(1,3-dimethylpyrazol-4-yl)sulfonylpiperidin-2-yl]ethyl]phenol (PubChem CID 95706787) has the molecular formula C18H25N3O3S and a molecular weight of 363.48 g/mol. Its IUPAC name is 4-[2-[(2R)-1-(1,3-dimethylpyrazol-4-yl)sulfonylpiperidin-2-yl]ethyl]phenol.

Molecular Properties

Compound Name4-[2-[(2R)-1-(1,3-dimethylpyrazol-4-yl)sulfonylpiperidin-2-yl]ethyl]phenol
PubChem CID95706787
Molecular FormulaC18H25N3O3S
Molecular Weight363.48 g/mol
Exact Mass363.16
IUPAC Name4-[2-[(2R)-1-(1,3-dimethylpyrazol-4-yl)sulfonylpiperidin-2-yl]ethyl]phenol
SMILESCc1nn(C)cc1S(=O)(=O)N1CCCC[C@@H]1CCc1ccc(O)cc1
InChIInChI=1S/C18H25N3O3S/c1-14-18(13-20(2)19-14)25(23,24)21-12-4-3-5-16(21)9-6-15-7-10-17(22)11-8-15/h7-8,10-11,13,16,22H,3-6,9,12H2,1-2H3/t16-/m1/s1
InChIKeyIVRKMXJXTUCTTI-MRXNPFEDSA-N
XLogP2.61
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.48
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[2-[(2R)-1-pyrrolidin-1-ylsulfonylpiperidin-2-yl]ethyl]phenol
CID 95727588
(2R)-2-[2-(4-hydroxyphenyl)ethyl]-N,N-dimethylpiperidine-1-sulfonamide
CID 95721516
[(2R)-2-[2-(4-hydroxyphenyl)ethyl]piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone
CID 97139701
1-(4-fluorophenyl)sulfonyl-2-[2-(4-methylphenyl)ethyl]piperidine
CID 142470254
1-(1,3-dimethylpyrazol-4-yl)sulfonyl-2-(4-methyl-1H-pyrazol-5-yl)piperidine
CID 110271079
(2R,5R)-1,4-bis[(1,3-dimethylpyrazol-4-yl)sulfonyl]-2,5-dimethylpiperazine
CID 98337206
1-(1,3-dimethylpyrazol-4-yl)sulfonylpiperidine-4-carboxylic acid
CID 3164934
5-[(3-chlorophenyl)methyl]-2-[(2R)-1-(1,3-dimethylpyrazol-4-yl)sulfonylpiperidin-2-yl]-1,3-oxazole
CID 124995262
(4aS,9aS)-1-(1,3-dimethylpyrazol-4-yl)sulfonyl-4a-methyl-3,4,5,6,7,8,9,9a-octahydro-2H-pyrido[3,2-b]azepine
CID 110140359
(3S)-1-(1,3-dimethylpyrazol-4-yl)sulfonylpiperidine-3-carboxylic acid
CID 7026133
(3R)-1-(1,3-dimethylpyrazol-4-yl)sulfonylpiperidine-3-carboxylic acid
CID 7017717
(2S)-1-methyl-2-[2-(4-methylsulfonylphenyl)ethyl]piperidine
CID 97130537

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(2R)-1-(1,3-dimethylpyrazol-4-yl)sulfonylpiperidin-2-yl]ethyl]phenol?
The IUPAC name of 4-[2-[(2R)-1-(1,3-dimethylpyrazol-4-yl)sulfonylpiperidin-2-yl]ethyl]phenol (CID 95706787) is 4-[2-[(2R)-1-(1,3-dimethylpyrazol-4-yl)sulfonylpiperidin-2-yl]ethyl]phenol.
What is the SMILES notation for 4-[2-[(2R)-1-(1,3-dimethylpyrazol-4-yl)sulfonylpiperidin-2-yl]ethyl]phenol?
The canonical SMILES for 4-[2-[(2R)-1-(1,3-dimethylpyrazol-4-yl)sulfonylpiperidin-2-yl]ethyl]phenol is Cc1nn(C)cc1S(=O)(=O)N1CCCC[C@@H]1CCc1ccc(O)cc1.
What is the InChIKey of 4-[2-[(2R)-1-(1,3-dimethylpyrazol-4-yl)sulfonylpiperidin-2-yl]ethyl]phenol?
The InChIKey is IVRKMXJXTUCTTI-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H25N3O3S/c1-14-18(13-20(2)19-14)25(23,24)21-12-4-3-5-16(21)9-6-15-7-10-17(22)11-8-15/h7-8,10-11,13,16,22H,3-6,9,12H2,1-2H3/t16-/m1/s1.
What are the key properties of 4-[2-[(2R)-1-(1,3-dimethylpyrazol-4-yl)sulfonylpiperidin-2-yl]ethyl]phenol?
4-[2-[(2R)-1-(1,3-dimethylpyrazol-4-yl)sulfonylpiperidin-2-yl]ethyl]phenol has a molecular weight of 363.48 g/mol, XLogP of 2.61, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(2R)-1-(1,3-dimethylpyrazol-4-yl)sulfonylpiperidin-2-yl]ethyl]phenol is sourced from PubChem (CID 95706787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).