4-[2-[(2R)-1-pyrrolidin-1-ylsulfonylpiperidin-2-yl]ethyl]phenol

C17H26N2O3S — CID 95727588

IUPAC4-[2-[(2R)-1-pyrrolidin-1-ylsulfonylpiperidin-2-yl]ethyl]phenol
SMILESO=S(=O)(N1CCCC1)N1CCCC[C@@H]1CCc1ccc(O)cc1
InChIInChI=1S/C17H26N2O3S/c20-17-10-7-15(8-11-17)6-9-16-5-1-2-14-19(16)23(21,22)18-12-3-4-13-18/h7-8,10-11,16,20H,1-6,9,12-14H2/t16-/m1/s1
InChIKeyRPFZOTMKMHTSHC-MRXNPFEDSA-N
MW338.47 g/mol
LogP2.52
Rot. Bonds5

About 4-[2-[(2R)-1-pyrrolidin-1-ylsulfonylpiperidin-2-yl]ethyl]phenol

4-[2-[(2R)-1-pyrrolidin-1-ylsulfonylpiperidin-2-yl]ethyl]phenol (PubChem CID 95727588) has the molecular formula C17H26N2O3S and a molecular weight of 338.47 g/mol. Its IUPAC name is 4-[2-[(2R)-1-pyrrolidin-1-ylsulfonylpiperidin-2-yl]ethyl]phenol.

Molecular Properties

Compound Name4-[2-[(2R)-1-pyrrolidin-1-ylsulfonylpiperidin-2-yl]ethyl]phenol
PubChem CID95727588
Molecular FormulaC17H26N2O3S
Molecular Weight338.47 g/mol
Exact Mass338.17
IUPAC Name4-[2-[(2R)-1-pyrrolidin-1-ylsulfonylpiperidin-2-yl]ethyl]phenol
SMILESO=S(=O)(N1CCCC1)N1CCCC[C@@H]1CCc1ccc(O)cc1
InChIInChI=1S/C17H26N2O3S/c20-17-10-7-15(8-11-17)6-9-16-5-1-2-14-19(16)23(21,22)18-12-3-4-13-18/h7-8,10-11,16,20H,1-6,9,12-14H2/t16-/m1/s1
InChIKeyRPFZOTMKMHTSHC-MRXNPFEDSA-N
XLogP2.52
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.47
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-[2-(4-hydroxyphenyl)ethyl]-N,N-dimethylpiperidine-1-sulfonamide
CID 95721516
4-[2-[(2R)-1-(1,3-dimethylpyrazol-4-yl)sulfonylpiperidin-2-yl]ethyl]phenol
CID 95706787
4-[(2S)-2-(2-pyridin-4-ylethyl)pyrrolidin-1-yl]sulfonylmorpholine
CID 124943452
2-methoxyethyl 2-[2-(4-hydroxyphenyl)ethyl]piperidine-1-carboxylate
CID 56913114
[(2R)-1-pyrrolidin-1-ylsulfonylpyrrolidin-2-yl]methanol
CID 79028725
4-[2-(2-thiophen-2-ylethyl)piperidin-1-yl]sulfonylmorpholine
CID 70727742
4-[2-(4-methoxyphenyl)ethyl]-1-pyrrolidin-1-ylsulfonylpiperidine
CID 134017737
1-(1-piperidin-1-ylsulfonylazepan-2-yl)propan-2-ol
CID 79560533
(2S)-1-methyl-2-[2-(4-methylsulfonylphenyl)ethyl]piperidine
CID 97130537
4-[2-(1-ethylsulfonylpyrrolidin-2-yl)ethyl]pyridine
CID 73439643
1-[4-[2-(4-methylphenyl)ethyl]piperidin-1-yl]sulfonylazepane
CID 52552627
1-(4-fluorophenyl)sulfonyl-2-[2-(4-methylphenyl)ethyl]piperidine
CID 142470254

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(2R)-1-pyrrolidin-1-ylsulfonylpiperidin-2-yl]ethyl]phenol?
The IUPAC name of 4-[2-[(2R)-1-pyrrolidin-1-ylsulfonylpiperidin-2-yl]ethyl]phenol (CID 95727588) is 4-[2-[(2R)-1-pyrrolidin-1-ylsulfonylpiperidin-2-yl]ethyl]phenol.
What is the SMILES notation for 4-[2-[(2R)-1-pyrrolidin-1-ylsulfonylpiperidin-2-yl]ethyl]phenol?
The canonical SMILES for 4-[2-[(2R)-1-pyrrolidin-1-ylsulfonylpiperidin-2-yl]ethyl]phenol is O=S(=O)(N1CCCC1)N1CCCC[C@@H]1CCc1ccc(O)cc1.
What is the InChIKey of 4-[2-[(2R)-1-pyrrolidin-1-ylsulfonylpiperidin-2-yl]ethyl]phenol?
The InChIKey is RPFZOTMKMHTSHC-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H26N2O3S/c20-17-10-7-15(8-11-17)6-9-16-5-1-2-14-19(16)23(21,22)18-12-3-4-13-18/h7-8,10-11,16,20H,1-6,9,12-14H2/t16-/m1/s1.
What are the key properties of 4-[2-[(2R)-1-pyrrolidin-1-ylsulfonylpiperidin-2-yl]ethyl]phenol?
4-[2-[(2R)-1-pyrrolidin-1-ylsulfonylpiperidin-2-yl]ethyl]phenol has a molecular weight of 338.47 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(2R)-1-pyrrolidin-1-ylsulfonylpiperidin-2-yl]ethyl]phenol is sourced from PubChem (CID 95727588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).