1-(2-cyclopropylethyl)-4-[(4-fluorophenyl)sulfonylmethyl]piperidine

C17H24FNO2S — CID 15147198

IUPAC1-(2-cyclopropylethyl)-4-[(4-fluorophenyl)sulfonylmethyl]piperidine
SMILESO=S(=O)(CC1CCN(CCC2CC2)CC1)c1ccc(F)cc1
InChIInChI=1S/C17H24FNO2S/c18-16-3-5-17(6-4-16)22(20,21)13-15-8-11-19(12-9-15)10-7-14-1-2-14/h3-6,14-15H,1-2,7-13H2
InChIKeyNEVJGJJRNMUIDT-UHFFFAOYSA-N
MW325.45 g/mol
LogP3.11
Rot. Bonds6

About 1-(2-cyclopropylethyl)-4-[(4-fluorophenyl)sulfonylmethyl]piperidine

1-(2-cyclopropylethyl)-4-[(4-fluorophenyl)sulfonylmethyl]piperidine (PubChem CID 15147198) has the molecular formula C17H24FNO2S and a molecular weight of 325.45 g/mol. Its IUPAC name is 1-(2-cyclopropylethyl)-4-[(4-fluorophenyl)sulfonylmethyl]piperidine.

Molecular Properties

Compound Name1-(2-cyclopropylethyl)-4-[(4-fluorophenyl)sulfonylmethyl]piperidine
PubChem CID15147198
Molecular FormulaC17H24FNO2S
Molecular Weight325.45 g/mol
Exact Mass325.15
IUPAC Name1-(2-cyclopropylethyl)-4-[(4-fluorophenyl)sulfonylmethyl]piperidine
SMILESO=S(=O)(CC1CCN(CCC2CC2)CC1)c1ccc(F)cc1
InChIInChI=1S/C17H24FNO2S/c18-16-3-5-17(6-4-16)22(20,21)13-15-8-11-19(12-9-15)10-7-14-1-2-14/h3-6,14-15H,1-2,7-13H2
InChIKeyNEVJGJJRNMUIDT-UHFFFAOYSA-N
XLogP3.11
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.45
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclopropylethyl)-4-[(4-fluorophenyl)sulfonylmethyl]piperidine?
The IUPAC name of 1-(2-cyclopropylethyl)-4-[(4-fluorophenyl)sulfonylmethyl]piperidine (CID 15147198) is 1-(2-cyclopropylethyl)-4-[(4-fluorophenyl)sulfonylmethyl]piperidine.
What is the SMILES notation for 1-(2-cyclopropylethyl)-4-[(4-fluorophenyl)sulfonylmethyl]piperidine?
The canonical SMILES for 1-(2-cyclopropylethyl)-4-[(4-fluorophenyl)sulfonylmethyl]piperidine is O=S(=O)(CC1CCN(CCC2CC2)CC1)c1ccc(F)cc1.
What is the InChIKey of 1-(2-cyclopropylethyl)-4-[(4-fluorophenyl)sulfonylmethyl]piperidine?
The InChIKey is NEVJGJJRNMUIDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FNO2S/c18-16-3-5-17(6-4-16)22(20,21)13-15-8-11-19(12-9-15)10-7-14-1-2-14/h3-6,14-15H,1-2,7-13H2.
What are the key properties of 1-(2-cyclopropylethyl)-4-[(4-fluorophenyl)sulfonylmethyl]piperidine?
1-(2-cyclopropylethyl)-4-[(4-fluorophenyl)sulfonylmethyl]piperidine has a molecular weight of 325.45 g/mol, XLogP of 3.11, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclopropylethyl)-4-[(4-fluorophenyl)sulfonylmethyl]piperidine is sourced from PubChem (CID 15147198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).