[2-(2-fluorophenyl)sulfanylphenyl]-(1-methylpiperidin-4-yl)methanol

C19H22FNOS — CID 12946438

IUPAC[2-(2-fluorophenyl)sulfanylphenyl]-(1-methylpiperidin-4-yl)methanol
SMILESCN1CCC(C(O)c2ccccc2Sc2ccccc2F)CC1
InChIInChI=1S/C19H22FNOS/c1-21-12-10-14(11-13-21)19(22)15-6-2-4-8-17(15)23-18-9-5-3-7-16(18)20/h2-9,14,19,22H,10-13H2,1H3
InChIKeyGRKVHVAIJHJDTA-UHFFFAOYSA-N
MW331.46 g/mol
LogP4.35
Rot. Bonds4

About [2-(2-fluorophenyl)sulfanylphenyl]-(1-methylpiperidin-4-yl)methanol

[2-(2-fluorophenyl)sulfanylphenyl]-(1-methylpiperidin-4-yl)methanol (PubChem CID 12946438) has the molecular formula C19H22FNOS and a molecular weight of 331.46 g/mol. Its IUPAC name is [2-(2-fluorophenyl)sulfanylphenyl]-(1-methylpiperidin-4-yl)methanol.

Molecular Properties

Compound Name[2-(2-fluorophenyl)sulfanylphenyl]-(1-methylpiperidin-4-yl)methanol
PubChem CID12946438
Molecular FormulaC19H22FNOS
Molecular Weight331.46 g/mol
Exact Mass331.14
IUPAC Name[2-(2-fluorophenyl)sulfanylphenyl]-(1-methylpiperidin-4-yl)methanol
SMILESCN1CCC(C(O)c2ccccc2Sc2ccccc2F)CC1
InChIInChI=1S/C19H22FNOS/c1-21-12-10-14(11-13-21)19(22)15-6-2-4-8-17(15)23-18-9-5-3-7-16(18)20/h2-9,14,19,22H,10-13H2,1H3
InChIKeyGRKVHVAIJHJDTA-UHFFFAOYSA-N
XLogP4.35
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-(2-fluorophenyl)sulfanylphenyl]-(1-methylpiperidin-4-yl)methanol?
The IUPAC name of [2-(2-fluorophenyl)sulfanylphenyl]-(1-methylpiperidin-4-yl)methanol (CID 12946438) is [2-(2-fluorophenyl)sulfanylphenyl]-(1-methylpiperidin-4-yl)methanol.
What is the SMILES notation for [2-(2-fluorophenyl)sulfanylphenyl]-(1-methylpiperidin-4-yl)methanol?
The canonical SMILES for [2-(2-fluorophenyl)sulfanylphenyl]-(1-methylpiperidin-4-yl)methanol is CN1CCC(C(O)c2ccccc2Sc2ccccc2F)CC1.
What is the InChIKey of [2-(2-fluorophenyl)sulfanylphenyl]-(1-methylpiperidin-4-yl)methanol?
The InChIKey is GRKVHVAIJHJDTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FNOS/c1-21-12-10-14(11-13-21)19(22)15-6-2-4-8-17(15)23-18-9-5-3-7-16(18)20/h2-9,14,19,22H,10-13H2,1H3.
What are the key properties of [2-(2-fluorophenyl)sulfanylphenyl]-(1-methylpiperidin-4-yl)methanol?
[2-(2-fluorophenyl)sulfanylphenyl]-(1-methylpiperidin-4-yl)methanol has a molecular weight of 331.46 g/mol, XLogP of 4.35, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-fluorophenyl)sulfanylphenyl]-(1-methylpiperidin-4-yl)methanol is sourced from PubChem (CID 12946438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).