1-(2-phenylethylsulfonyl)-4-(2-piperidin-1-ylphenoxy)piperidine

C24H32N2O3S — CID 174483108

IUPAC1-(2-phenylethylsulfonyl)-4-(2-piperidin-1-ylphenoxy)piperidine
SMILESO=S(=O)(CCc1ccccc1)N1CCC(Oc2ccccc2N2CCCCC2)CC1
InChIInChI=1S/C24H32N2O3S/c27-30(28,20-15-21-9-3-1-4-10-21)26-18-13-22(14-19-26)29-24-12-6-5-11-23(24)25-16-7-2-8-17-25/h1,3-6,9-12,22H,2,7-8,13-20H2
InChIKeyWPIRGQCANFCWSD-UHFFFAOYSA-N
MW428.60 g/mol
LogP4.09
Rot. Bonds7

About 1-(2-phenylethylsulfonyl)-4-(2-piperidin-1-ylphenoxy)piperidine

1-(2-phenylethylsulfonyl)-4-(2-piperidin-1-ylphenoxy)piperidine (PubChem CID 174483108) has the molecular formula C24H32N2O3S and a molecular weight of 428.60 g/mol. Its IUPAC name is 1-(2-phenylethylsulfonyl)-4-(2-piperidin-1-ylphenoxy)piperidine.

Molecular Properties

Compound Name1-(2-phenylethylsulfonyl)-4-(2-piperidin-1-ylphenoxy)piperidine
PubChem CID174483108
Molecular FormulaC24H32N2O3S
Molecular Weight428.60 g/mol
Exact Mass428.21
IUPAC Name1-(2-phenylethylsulfonyl)-4-(2-piperidin-1-ylphenoxy)piperidine
SMILESO=S(=O)(CCc1ccccc1)N1CCC(Oc2ccccc2N2CCCCC2)CC1
InChIInChI=1S/C24H32N2O3S/c27-30(28,20-15-21-9-3-1-4-10-21)26-18-13-22(14-19-26)29-24-12-6-5-11-23(24)25-16-7-2-8-17-25/h1,3-6,9-12,22H,2,7-8,13-20H2
InChIKeyWPIRGQCANFCWSD-UHFFFAOYSA-N
XLogP4.09
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.60
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-chloro-2-fluorophenoxy)-1-(2-phenylethylsulfonyl)piperidine
CID 175243852
4-(2-bromoethoxy)-1-(2-phenylethylsulfonyl)piperidine
CID 82689124
1-(2-phenylethylsulfonyl)piperidin-4-amine;hydrochloride
CID 119959095
2-[1-(2-phenylethylsulfonyl)piperidin-4-yl]oxy-1,3-benzoxazole
CID 91625081
2-[1-[1-(2-phenylethylsulfonyl)piperidin-4-yl]piperidin-4-yl]oxy-1,3-thiazole
CID 90617948
4-[4-(2-fluorophenoxy)piperidin-1-yl]-1-[2-(4-methoxyphenyl)ethylsulfonyl]piperidine
CID 90617030
1-(2-ethoxyphenyl)-4-(3-phenylpropylsulfonyl)piperazine
CID 113077400
1-(3-phenylpropylsulfonyl)-4-propan-2-yloxypiperidine
CID 110725489
3-methyl-1-(2-phenylethylsulfonyl)pyrrolidine
CID 110749816
(2-cyclobutyloxy-6-piperidin-1-ylphenyl)methanamine
CID 118156691
3-[1-(2-phenylethylsulfonyl)piperidin-4-yl]-1H-benzimidazol-2-one
CID 60531984
1-[2-(1-ethylsulfonylpiperidin-3-yl)oxyphenyl]-4-methylpiperazine
CID 58817416

Frequently Asked Questions

What is the IUPAC name of 1-(2-phenylethylsulfonyl)-4-(2-piperidin-1-ylphenoxy)piperidine?
The IUPAC name of 1-(2-phenylethylsulfonyl)-4-(2-piperidin-1-ylphenoxy)piperidine (CID 174483108) is 1-(2-phenylethylsulfonyl)-4-(2-piperidin-1-ylphenoxy)piperidine.
What is the SMILES notation for 1-(2-phenylethylsulfonyl)-4-(2-piperidin-1-ylphenoxy)piperidine?
The canonical SMILES for 1-(2-phenylethylsulfonyl)-4-(2-piperidin-1-ylphenoxy)piperidine is O=S(=O)(CCc1ccccc1)N1CCC(Oc2ccccc2N2CCCCC2)CC1.
What is the InChIKey of 1-(2-phenylethylsulfonyl)-4-(2-piperidin-1-ylphenoxy)piperidine?
The InChIKey is WPIRGQCANFCWSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O3S/c27-30(28,20-15-21-9-3-1-4-10-21)26-18-13-22(14-19-26)29-24-12-6-5-11-23(24)25-16-7-2-8-17-25/h1,3-6,9-12,22H,2,7-8,13-20H2.
What are the key properties of 1-(2-phenylethylsulfonyl)-4-(2-piperidin-1-ylphenoxy)piperidine?
1-(2-phenylethylsulfonyl)-4-(2-piperidin-1-ylphenoxy)piperidine has a molecular weight of 428.60 g/mol, XLogP of 4.09, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-phenylethylsulfonyl)-4-(2-piperidin-1-ylphenoxy)piperidine is sourced from PubChem (CID 174483108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).