1-(2-fluorophenyl)sulfonyl-4-(piperidin-1-ylmethyl)piperidine

C17H25FN2O2S — CID 46287328

IUPAC1-(2-fluorophenyl)sulfonyl-4-(piperidin-1-ylmethyl)piperidine
SMILESO=S(=O)(c1ccccc1F)N1CCC(CN2CCCCC2)CC1
InChIInChI=1S/C17H25FN2O2S/c18-16-6-2-3-7-17(16)23(21,22)20-12-8-15(9-13-20)14-19-10-4-1-5-11-19/h2-3,6-7,15H,1,4-5,8-14H2
InChIKeyYJTXQZRFJOFSLH-UHFFFAOYSA-N
MW340.46 g/mol
LogP2.71
Rot. Bonds4

About 1-(2-fluorophenyl)sulfonyl-4-(piperidin-1-ylmethyl)piperidine

1-(2-fluorophenyl)sulfonyl-4-(piperidin-1-ylmethyl)piperidine (PubChem CID 46287328) has the molecular formula C17H25FN2O2S and a molecular weight of 340.46 g/mol. Its IUPAC name is 1-(2-fluorophenyl)sulfonyl-4-(piperidin-1-ylmethyl)piperidine.

Molecular Properties

Compound Name1-(2-fluorophenyl)sulfonyl-4-(piperidin-1-ylmethyl)piperidine
PubChem CID46287328
Molecular FormulaC17H25FN2O2S
Molecular Weight340.46 g/mol
Exact Mass340.16
IUPAC Name1-(2-fluorophenyl)sulfonyl-4-(piperidin-1-ylmethyl)piperidine
SMILESO=S(=O)(c1ccccc1F)N1CCC(CN2CCCCC2)CC1
InChIInChI=1S/C17H25FN2O2S/c18-16-6-2-3-7-17(16)23(21,22)20-12-8-15(9-13-20)14-19-10-4-1-5-11-19/h2-3,6-7,15H,1,4-5,8-14H2
InChIKeyYJTXQZRFJOFSLH-UHFFFAOYSA-N
XLogP2.71
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 ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)sulfonyl-4-(piperidin-1-ylmethyl)piperidine?
The IUPAC name of 1-(2-fluorophenyl)sulfonyl-4-(piperidin-1-ylmethyl)piperidine (CID 46287328) is 1-(2-fluorophenyl)sulfonyl-4-(piperidin-1-ylmethyl)piperidine.
What is the SMILES notation for 1-(2-fluorophenyl)sulfonyl-4-(piperidin-1-ylmethyl)piperidine?
The canonical SMILES for 1-(2-fluorophenyl)sulfonyl-4-(piperidin-1-ylmethyl)piperidine is O=S(=O)(c1ccccc1F)N1CCC(CN2CCCCC2)CC1.
What is the InChIKey of 1-(2-fluorophenyl)sulfonyl-4-(piperidin-1-ylmethyl)piperidine?
The InChIKey is YJTXQZRFJOFSLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25FN2O2S/c18-16-6-2-3-7-17(16)23(21,22)20-12-8-15(9-13-20)14-19-10-4-1-5-11-19/h2-3,6-7,15H,1,4-5,8-14H2.
What are the key properties of 1-(2-fluorophenyl)sulfonyl-4-(piperidin-1-ylmethyl)piperidine?
1-(2-fluorophenyl)sulfonyl-4-(piperidin-1-ylmethyl)piperidine has a molecular weight of 340.46 g/mol, XLogP of 2.71, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)sulfonyl-4-(piperidin-1-ylmethyl)piperidine is sourced from PubChem (CID 46287328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).