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

C12H16FNO3S — CID 43502786

IUPAC1-[(4-fluorophenyl)methylsulfonyl]piperidin-4-ol
SMILESO=S(=O)(Cc1ccc(F)cc1)N1CCC(O)CC1
InChIInChI=1S/C12H16FNO3S/c13-11-3-1-10(2-4-11)9-18(16,17)14-7-5-12(15)6-8-14/h1-4,12,15H,5-9H2
InChIKeyZHAKNFJWVZNHGM-UHFFFAOYSA-N
MW273.33 g/mol
LogP1.11
Rot. Bonds3

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

1-[(4-fluorophenyl)methylsulfonyl]piperidin-4-ol (PubChem CID 43502786) has the molecular formula C12H16FNO3S and a molecular weight of 273.33 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methylsulfonyl]piperidin-4-ol.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methylsulfonyl]piperidin-4-ol
PubChem CID43502786
Molecular FormulaC12H16FNO3S
Molecular Weight273.33 g/mol
Exact Mass273.08
IUPAC Name1-[(4-fluorophenyl)methylsulfonyl]piperidin-4-ol
SMILESO=S(=O)(Cc1ccc(F)cc1)N1CCC(O)CC1
InChIInChI=1S/C12H16FNO3S/c13-11-3-1-10(2-4-11)9-18(16,17)14-7-5-12(15)6-8-14/h1-4,12,15H,5-9H2
InChIKeyZHAKNFJWVZNHGM-UHFFFAOYSA-N
XLogP1.11
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)methylsulfonyl]piperidin-4-ol?
The IUPAC name of 1-[(4-fluorophenyl)methylsulfonyl]piperidin-4-ol (CID 43502786) is 1-[(4-fluorophenyl)methylsulfonyl]piperidin-4-ol.
What is the SMILES notation for 1-[(4-fluorophenyl)methylsulfonyl]piperidin-4-ol?
The canonical SMILES for 1-[(4-fluorophenyl)methylsulfonyl]piperidin-4-ol is O=S(=O)(Cc1ccc(F)cc1)N1CCC(O)CC1.
What is the InChIKey of 1-[(4-fluorophenyl)methylsulfonyl]piperidin-4-ol?
The InChIKey is ZHAKNFJWVZNHGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO3S/c13-11-3-1-10(2-4-11)9-18(16,17)14-7-5-12(15)6-8-14/h1-4,12,15H,5-9H2.
What are the key properties of 1-[(4-fluorophenyl)methylsulfonyl]piperidin-4-ol?
1-[(4-fluorophenyl)methylsulfonyl]piperidin-4-ol has a molecular weight of 273.33 g/mol, XLogP of 1.11, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)methylsulfonyl]piperidin-4-ol is sourced from PubChem (CID 43502786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).