2-[4-[[4-(1-methylsulfonylpiperidin-4-yl)phenoxy]methyl]piperidin-1-yl]-5-(trifluoromethyl)pyridine

C24H30F3N3O3S — CID 25253001

IUPAC2-[4-[[4-(1-methylsulfonylpiperidin-4-yl)phenoxy]methyl]piperidin-1-yl]-5-(trifluoromethyl)pyridine
SMILESCS(=O)(=O)N1CCC(c2ccc(OCC3CCN(c4ccc(C(F)(F)F)cn4)CC3)cc2)CC1
InChIInChI=1S/C24H30F3N3O3S/c1-34(31,32)30-14-10-20(11-15-30)19-2-5-22(6-3-19)33-17-18-8-12-29(13-9-18)23-7-4-21(16-28-23)24(25,26)27/h2-7,16,18,20H,8-15,17H2,1H3
InChIKeyCQRUHGWEYBEOMS-UHFFFAOYSA-N
MW497.58 g/mol
LogP4.53
Rot. Bonds6

About 2-[4-[[4-(1-methylsulfonylpiperidin-4-yl)phenoxy]methyl]piperidin-1-yl]-5-(trifluoromethyl)pyridine

2-[4-[[4-(1-methylsulfonylpiperidin-4-yl)phenoxy]methyl]piperidin-1-yl]-5-(trifluoromethyl)pyridine (PubChem CID 25253001) has the molecular formula C24H30F3N3O3S and a molecular weight of 497.58 g/mol. Its IUPAC name is 2-[4-[[4-(1-methylsulfonylpiperidin-4-yl)phenoxy]methyl]piperidin-1-yl]-5-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2-[4-[[4-(1-methylsulfonylpiperidin-4-yl)phenoxy]methyl]piperidin-1-yl]-5-(trifluoromethyl)pyridine
PubChem CID25253001
Molecular FormulaC24H30F3N3O3S
Molecular Weight497.58 g/mol
Exact Mass497.20
IUPAC Name2-[4-[[4-(1-methylsulfonylpiperidin-4-yl)phenoxy]methyl]piperidin-1-yl]-5-(trifluoromethyl)pyridine
SMILESCS(=O)(=O)N1CCC(c2ccc(OCC3CCN(c4ccc(C(F)(F)F)cn4)CC3)cc2)CC1
InChIInChI=1S/C24H30F3N3O3S/c1-34(31,32)30-14-10-20(11-15-30)19-2-5-22(6-3-19)33-17-18-8-12-29(13-9-18)23-7-4-21(16-28-23)24(25,26)27/h2-7,16,18,20H,8-15,17H2,1H3
InChIKeyCQRUHGWEYBEOMS-UHFFFAOYSA-N
XLogP4.53
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.58
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-(7-Methoxy-3,4-dihydro-naphthalen-1-yl)-propyl]-4-pyridin-2-yl-piperazine
CID 10248164
1-(4-Methoxyphenyl)sulfonyl-4-[3-(trifluoromethyl)pyridin-2-yl]piperazine
CID 1484980
cis-1-(4-(4-Methoxyphenyl)cyclohexyl)-4-(pyridin-2-yl)piperazine
CID 10383331
1-[3-(Benzyloxy)benzyl]-4-(2-pyridinyl)piperazine
CID 1378308
2-[4-[5-(1-propylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]piperidin-1-yl]-5-(trifluoromethyl)pyridine
CID 68211784
(2R)-2-[1-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-5-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-2,3-dihydrofuro[2,3-c]pyridine
CID 71208589
5-Methyl-N-[4-[[3-[1-(methylsulfonyl)-4-piperidinyl]-2-pyridinyl]oxy]phenyl]-2-pyridinamine
CID 59373924
1-[4-(Benzyloxy)benzyl]-4-(2-pyridinyl)piperazine
CID 1377542
1-[3-(6-Methoxy-3,4-dihydro-naphthalen-1-yl)-propyl]-4-pyridin-2-yl-piperazine
CID 44265483
1-Pyridin-2-yl-4-[3-[4-(trifluoromethyl)phenoxy]propyl]piperazine
CID 90644057
6-(4-Methylpiperazin-1-yl)-1-(2-methylpropylsulfonyl)-4-(4-phenylmethoxyphenyl)pyrrolo[2,3-b]pyridine
CID 127046815
1-[4-[2,6-Difluoro-4-[(2-methyl-3-pyridinyl)methoxy]phenyl]-2-pyridinyl]piperazine
CID 137638144

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[4-(1-methylsulfonylpiperidin-4-yl)phenoxy]methyl]piperidin-1-yl]-5-(trifluoromethyl)pyridine?
The IUPAC name of 2-[4-[[4-(1-methylsulfonylpiperidin-4-yl)phenoxy]methyl]piperidin-1-yl]-5-(trifluoromethyl)pyridine (CID 25253001) is 2-[4-[[4-(1-methylsulfonylpiperidin-4-yl)phenoxy]methyl]piperidin-1-yl]-5-(trifluoromethyl)pyridine.
What is the SMILES notation for 2-[4-[[4-(1-methylsulfonylpiperidin-4-yl)phenoxy]methyl]piperidin-1-yl]-5-(trifluoromethyl)pyridine?
The canonical SMILES for 2-[4-[[4-(1-methylsulfonylpiperidin-4-yl)phenoxy]methyl]piperidin-1-yl]-5-(trifluoromethyl)pyridine is CS(=O)(=O)N1CCC(c2ccc(OCC3CCN(c4ccc(C(F)(F)F)cn4)CC3)cc2)CC1.
What is the InChIKey of 2-[4-[[4-(1-methylsulfonylpiperidin-4-yl)phenoxy]methyl]piperidin-1-yl]-5-(trifluoromethyl)pyridine?
The InChIKey is CQRUHGWEYBEOMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30F3N3O3S/c1-34(31,32)30-14-10-20(11-15-30)19-2-5-22(6-3-19)33-17-18-8-12-29(13-9-18)23-7-4-21(16-28-23)24(25,26)27/h2-7,16,18,20H,8-15,17H2,1H3.
What are the key properties of 2-[4-[[4-(1-methylsulfonylpiperidin-4-yl)phenoxy]methyl]piperidin-1-yl]-5-(trifluoromethyl)pyridine?
2-[4-[[4-(1-methylsulfonylpiperidin-4-yl)phenoxy]methyl]piperidin-1-yl]-5-(trifluoromethyl)pyridine has a molecular weight of 497.58 g/mol, XLogP of 4.53, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[4-(1-methylsulfonylpiperidin-4-yl)phenoxy]methyl]piperidin-1-yl]-5-(trifluoromethyl)pyridine is sourced from PubChem (CID 25253001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).