1-[(4-fluorophenyl)methylsulfonyl]-4-piperidin-1-ylpiperidine

C17H25FN2O2S — CID 110868518

IUPAC1-[(4-fluorophenyl)methylsulfonyl]-4-piperidin-1-ylpiperidine
SMILESO=S(=O)(Cc1ccc(F)cc1)N1CCC(N2CCCCC2)CC1
InChIInChI=1S/C17H25FN2O2S/c18-16-6-4-15(5-7-16)14-23(21,22)20-12-8-17(9-13-20)19-10-2-1-3-11-19/h4-7,17H,1-3,8-14H2
InChIKeyRVXWCGBUMZGYQV-UHFFFAOYSA-N
MW340.46 g/mol
LogP2.61
Rot. Bonds4

About 1-[(4-fluorophenyl)methylsulfonyl]-4-piperidin-1-ylpiperidine

1-[(4-fluorophenyl)methylsulfonyl]-4-piperidin-1-ylpiperidine (PubChem CID 110868518) has the molecular formula C17H25FN2O2S and a molecular weight of 340.46 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methylsulfonyl]-4-piperidin-1-ylpiperidine.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methylsulfonyl]-4-piperidin-1-ylpiperidine
PubChem CID110868518
Molecular FormulaC17H25FN2O2S
Molecular Weight340.46 g/mol
Exact Mass340.16
IUPAC Name1-[(4-fluorophenyl)methylsulfonyl]-4-piperidin-1-ylpiperidine
SMILESO=S(=O)(Cc1ccc(F)cc1)N1CCC(N2CCCCC2)CC1
InChIInChI=1S/C17H25FN2O2S/c18-16-6-4-15(5-7-16)14-23(21,22)20-12-8-17(9-13-20)19-10-2-1-3-11-19/h4-7,17H,1-3,8-14H2
InChIKeyRVXWCGBUMZGYQV-UHFFFAOYSA-N
XLogP2.61
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.46
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-[(4-fluorophenyl)methylsulfonyl]piperidin-4-yl]acetamide
CID 49458586
1-[(4-fluorophenyl)methylsulfonyl]-4-(methoxymethyl)piperidine
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1-[1-[(4-fluorophenyl)methylsulfonyl]piperidin-4-yl]ethanamine
CID 63596216
1-[1-[(4-fluorophenyl)methylsulfonyl]piperidin-4-yl]ethanol
CID 103834665
[1-[(4-fluorophenyl)methylsulfonyl]piperidin-4-yl]-phenylmethanone
CID 55529221
1-[1-(4-fluorophenyl)sulfonylpyrrolidin-3-yl]piperidine
CID 63169006
3-[4-[(4-fluorophenyl)methylsulfonyl]piperazin-1-yl]-6-piperidin-1-ylpyridazine
CID 122334779
1-[6-[4-[(4-fluorophenyl)methylsulfonyl]piperazin-1-yl]pyridazin-3-yl]azepane
CID 122335071
3-[(4-fluorophenyl)methylsulfonyl]-3,9-diazabicyclo[4.2.1]nonane;hydrochloride
CID 119989330
2-(4-fluorophenyl)-1-(4-piperidin-1-ylpiperidin-1-yl)ethanone
CID 110868488
[1-[(4-fluorophenyl)methylsulfonyl]piperidin-4-yl]-(4-methylphenyl)methanone
CID 55913303
[1-[(4-fluorophenyl)methylsulfonyl]piperidin-4-yl]-thiophen-2-ylmethanone
CID 110394433

Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)methylsulfonyl]-4-piperidin-1-ylpiperidine?
The IUPAC name of 1-[(4-fluorophenyl)methylsulfonyl]-4-piperidin-1-ylpiperidine (CID 110868518) is 1-[(4-fluorophenyl)methylsulfonyl]-4-piperidin-1-ylpiperidine.
What is the SMILES notation for 1-[(4-fluorophenyl)methylsulfonyl]-4-piperidin-1-ylpiperidine?
The canonical SMILES for 1-[(4-fluorophenyl)methylsulfonyl]-4-piperidin-1-ylpiperidine is O=S(=O)(Cc1ccc(F)cc1)N1CCC(N2CCCCC2)CC1.
What is the InChIKey of 1-[(4-fluorophenyl)methylsulfonyl]-4-piperidin-1-ylpiperidine?
The InChIKey is RVXWCGBUMZGYQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25FN2O2S/c18-16-6-4-15(5-7-16)14-23(21,22)20-12-8-17(9-13-20)19-10-2-1-3-11-19/h4-7,17H,1-3,8-14H2.
What are the key properties of 1-[(4-fluorophenyl)methylsulfonyl]-4-piperidin-1-ylpiperidine?
1-[(4-fluorophenyl)methylsulfonyl]-4-piperidin-1-ylpiperidine has a molecular weight of 340.46 g/mol, XLogP of 2.61, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)methylsulfonyl]-4-piperidin-1-ylpiperidine is sourced from PubChem (CID 110868518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).