4-[4-(2-fluorophenoxy)piperidin-1-yl]-1-(4-propylphenyl)sulfonylpiperidine

C25H33FN2O3S — CID 90617004

IUPAC4-[4-(2-fluorophenoxy)piperidin-1-yl]-1-(4-propylphenyl)sulfonylpiperidine
SMILESCCCc1ccc(S(=O)(=O)N2CCC(N3CCC(Oc4ccccc4F)CC3)CC2)cc1
InChIInChI=1S/C25H33FN2O3S/c1-2-5-20-8-10-23(11-9-20)32(29,30)28-18-12-21(13-19-28)27-16-14-22(15-17-27)31-25-7-4-3-6-24(25)26/h3-4,6-11,21-22H,2,5,12-19H2,1H3
InChIKeyZRYPKECVRWZEES-UHFFFAOYSA-N
MW460.62 g/mol
LogP4.47
Rot. Bonds7

About 4-[4-(2-fluorophenoxy)piperidin-1-yl]-1-(4-propylphenyl)sulfonylpiperidine

4-[4-(2-fluorophenoxy)piperidin-1-yl]-1-(4-propylphenyl)sulfonylpiperidine (PubChem CID 90617004) has the molecular formula C25H33FN2O3S and a molecular weight of 460.62 g/mol. Its IUPAC name is 4-[4-(2-fluorophenoxy)piperidin-1-yl]-1-(4-propylphenyl)sulfonylpiperidine.

Molecular Properties

Compound Name4-[4-(2-fluorophenoxy)piperidin-1-yl]-1-(4-propylphenyl)sulfonylpiperidine
PubChem CID90617004
Molecular FormulaC25H33FN2O3S
Molecular Weight460.62 g/mol
Exact Mass460.22
IUPAC Name4-[4-(2-fluorophenoxy)piperidin-1-yl]-1-(4-propylphenyl)sulfonylpiperidine
SMILESCCCc1ccc(S(=O)(=O)N2CCC(N3CCC(Oc4ccccc4F)CC3)CC2)cc1
InChIInChI=1S/C25H33FN2O3S/c1-2-5-20-8-10-23(11-9-20)32(29,30)28-18-12-21(13-19-28)27-16-14-22(15-17-27)31-25-7-4-3-6-24(25)26/h3-4,6-11,21-22H,2,5,12-19H2,1H3
InChIKeyZRYPKECVRWZEES-UHFFFAOYSA-N
XLogP4.47
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.62
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-[4-[4-(2-fluorophenoxy)piperidin-1-yl]piperidin-1-yl]sulfonylphenyl]ethanone
CID 90617002
1-(5-ethyl-2-methoxyphenyl)sulfonyl-4-[4-(2-fluorophenoxy)piperidin-1-yl]piperidine
CID 90617029
4-[1-[1-(4-propylphenyl)sulfonylpiperidin-4-yl]piperidin-4-yl]oxypyridine
CID 90617485
1-(2-ethoxyphenyl)sulfonyl-4-[4-(2-fluorophenoxy)piperidin-1-yl]piperidine
CID 90617008
4-[4-(2-fluorophenoxy)piperidin-1-yl]-1-[2-(4-methoxyphenyl)ethylsulfonyl]piperidine
CID 90617030
1-[4-[4-(2-fluorophenoxy)piperidin-1-yl]piperidin-1-yl]-3-(4-methylsulfonylphenyl)propan-1-one
CID 90616822
4-[4-(2-fluorophenoxy)piperidin-1-yl]-1-thiophen-2-ylsulfonylpiperidine
CID 86264461
1-[(2,5-difluorophenyl)methylsulfonyl]-4-[4-(2-fluorophenoxy)piperidin-1-yl]piperidine
CID 90617047
4-methyl-1-(4-propylphenyl)sulfonylpiperidine
CID 17375841
4-[4-(2-fluorophenoxy)piperidin-1-yl]-1-[(E)-2-(4-methylphenyl)ethenyl]sulfonylpiperidine
CID 90617045
4-(benzenesulfonyl)-1-(4-propylphenyl)sulfonylpiperidine
CID 90589463
2-methoxy-4-[1-(4-propylphenyl)sulfonylpiperidin-4-yl]oxypyrimidine
CID 121161690

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-fluorophenoxy)piperidin-1-yl]-1-(4-propylphenyl)sulfonylpiperidine?
The IUPAC name of 4-[4-(2-fluorophenoxy)piperidin-1-yl]-1-(4-propylphenyl)sulfonylpiperidine (CID 90617004) is 4-[4-(2-fluorophenoxy)piperidin-1-yl]-1-(4-propylphenyl)sulfonylpiperidine.
What is the SMILES notation for 4-[4-(2-fluorophenoxy)piperidin-1-yl]-1-(4-propylphenyl)sulfonylpiperidine?
The canonical SMILES for 4-[4-(2-fluorophenoxy)piperidin-1-yl]-1-(4-propylphenyl)sulfonylpiperidine is CCCc1ccc(S(=O)(=O)N2CCC(N3CCC(Oc4ccccc4F)CC3)CC2)cc1.
What is the InChIKey of 4-[4-(2-fluorophenoxy)piperidin-1-yl]-1-(4-propylphenyl)sulfonylpiperidine?
The InChIKey is ZRYPKECVRWZEES-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33FN2O3S/c1-2-5-20-8-10-23(11-9-20)32(29,30)28-18-12-21(13-19-28)27-16-14-22(15-17-27)31-25-7-4-3-6-24(25)26/h3-4,6-11,21-22H,2,5,12-19H2,1H3.
What are the key properties of 4-[4-(2-fluorophenoxy)piperidin-1-yl]-1-(4-propylphenyl)sulfonylpiperidine?
4-[4-(2-fluorophenoxy)piperidin-1-yl]-1-(4-propylphenyl)sulfonylpiperidine has a molecular weight of 460.62 g/mol, XLogP of 4.47, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-fluorophenoxy)piperidin-1-yl]-1-(4-propylphenyl)sulfonylpiperidine is sourced from PubChem (CID 90617004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).