2-[4-[(2R)-4-(4-methylsulfonylphenoxy)butan-2-yl]piperidin-1-yl]pyridine

C21H28N2O3S — CID 44608531

IUPAC2-[4-[(2R)-4-(4-methylsulfonylphenoxy)butan-2-yl]piperidin-1-yl]pyridine
SMILESC[C@H](CCOc1ccc(S(C)(=O)=O)cc1)C1CCN(c2ccccn2)CC1
InChIInChI=1S/C21H28N2O3S/c1-17(12-16-26-19-6-8-20(9-7-19)27(2,24)25)18-10-14-23(15-11-18)21-5-3-4-13-22-21/h3-9,13,17-18H,10-12,14-16H2,1-2H3/t17-/m1/s1
InChIKeyAHQZXKSMFZPNTK-QGZVFWFLSA-N
MW388.53 g/mol
LogP3.81
Rot. Bonds7

About 2-[4-[(2R)-4-(4-methylsulfonylphenoxy)butan-2-yl]piperidin-1-yl]pyridine

2-[4-[(2R)-4-(4-methylsulfonylphenoxy)butan-2-yl]piperidin-1-yl]pyridine (PubChem CID 44608531) has the molecular formula C21H28N2O3S and a molecular weight of 388.53 g/mol. Its IUPAC name is 2-[4-[(2R)-4-(4-methylsulfonylphenoxy)butan-2-yl]piperidin-1-yl]pyridine.

Molecular Properties

Compound Name2-[4-[(2R)-4-(4-methylsulfonylphenoxy)butan-2-yl]piperidin-1-yl]pyridine
PubChem CID44608531
Molecular FormulaC21H28N2O3S
Molecular Weight388.53 g/mol
Exact Mass388.18
IUPAC Name2-[4-[(2R)-4-(4-methylsulfonylphenoxy)butan-2-yl]piperidin-1-yl]pyridine
SMILESC[C@H](CCOc1ccc(S(C)(=O)=O)cc1)C1CCN(c2ccccn2)CC1
InChIInChI=1S/C21H28N2O3S/c1-17(12-16-26-19-6-8-20(9-7-19)27(2,24)25)18-10-14-23(15-11-18)21-5-3-4-13-22-21/h3-9,13,17-18H,10-12,14-16H2,1-2H3/t17-/m1/s1
InChIKeyAHQZXKSMFZPNTK-QGZVFWFLSA-N
XLogP3.81
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.53
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[4-[(2R)-4-(4-methylsulfonylphenoxy)butan-2-yl]piperidin-1-yl]pyridine with MolForge

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Related Compounds

5-ethyl-2-[4-[(2R)-4-(4-methylsulfonylphenoxy)butan-2-yl]piperidin-1-yl]pyrimidine
CID 44608534
5-ethyl-2-[4-[4-(4-methylsulfonylphenoxy)butan-2-yl]piperidin-1-yl]pyrimidine
CID 75081193
5-(methoxymethyl)-3-[4-[(2R)-4-(4-methylsulfonylphenoxy)butan-2-yl]piperidin-1-yl]-1,2,4-oxadiazole
CID 44610385
4-methoxy-N-(1-pyridin-2-ylpyrrolidin-3-yl)benzenesulfonamide
CID 90621518
5-[4-[(2R)-4-[(5-methylsulfonyl-2-pyridinyl)oxy]butan-2-yl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole
CID 59293910
5-[4-[(2R)-4-[(6-methylsulfonyl-3-pyridinyl)oxy]butan-2-yl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole
CID 68548914
N-[(1-pyridin-2-ylpiperidin-4-yl)methyl]propan-2-amine
CID 62592659
N-methyl-N-[(1-pyridin-2-ylpiperidin-4-yl)methyl]methanesulfonamide
CID 171335942
3-ethoxy-6-[4-[4-(4-methylsulfonylphenoxy)cyclohexyl]oxypiperidin-1-yl]pyridazine
CID 67451014
4-propan-2-yl-N-(1-pyridin-2-ylpyrrolidin-3-yl)benzenesulfonamide
CID 90621471
2-[1-(5-methylsulfonyl-2-pyridinyl)piperidin-4-yl]pyrimidine
CID 154787039
N-methyl-N-[1-(4-methylsulfonylphenyl)piperidin-4-yl]pyridin-2-amine
CID 163344050

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2R)-4-(4-methylsulfonylphenoxy)butan-2-yl]piperidin-1-yl]pyridine?
The IUPAC name of 2-[4-[(2R)-4-(4-methylsulfonylphenoxy)butan-2-yl]piperidin-1-yl]pyridine (CID 44608531) is 2-[4-[(2R)-4-(4-methylsulfonylphenoxy)butan-2-yl]piperidin-1-yl]pyridine.
What is the SMILES notation for 2-[4-[(2R)-4-(4-methylsulfonylphenoxy)butan-2-yl]piperidin-1-yl]pyridine?
The canonical SMILES for 2-[4-[(2R)-4-(4-methylsulfonylphenoxy)butan-2-yl]piperidin-1-yl]pyridine is C[C@H](CCOc1ccc(S(C)(=O)=O)cc1)C1CCN(c2ccccn2)CC1.
What is the InChIKey of 2-[4-[(2R)-4-(4-methylsulfonylphenoxy)butan-2-yl]piperidin-1-yl]pyridine?
The InChIKey is AHQZXKSMFZPNTK-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H28N2O3S/c1-17(12-16-26-19-6-8-20(9-7-19)27(2,24)25)18-10-14-23(15-11-18)21-5-3-4-13-22-21/h3-9,13,17-18H,10-12,14-16H2,1-2H3/t17-/m1/s1.
What are the key properties of 2-[4-[(2R)-4-(4-methylsulfonylphenoxy)butan-2-yl]piperidin-1-yl]pyridine?
2-[4-[(2R)-4-(4-methylsulfonylphenoxy)butan-2-yl]piperidin-1-yl]pyridine has a molecular weight of 388.53 g/mol, XLogP of 3.81, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2R)-4-(4-methylsulfonylphenoxy)butan-2-yl]piperidin-1-yl]pyridine is sourced from PubChem (CID 44608531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).