[3-[(2-fluorophenyl)methyl]-1-(3-methylsulfanylpropyl)piperidin-3-yl]methanol

C17H26FNOS — CID 23723791

IUPAC[3-[(2-fluorophenyl)methyl]-1-(3-methylsulfanylpropyl)piperidin-3-yl]methanol
SMILESCSCCCN1CCCC(CO)(Cc2ccccc2F)C1
InChIInChI=1S/C17H26FNOS/c1-21-11-5-10-19-9-4-8-17(13-19,14-20)12-15-6-2-3-7-16(15)18/h2-3,6-7,20H,4-5,8-14H2,1H3
InChIKeyPOEDOYNPUCSBLY-UHFFFAOYSA-N
MW311.47 g/mol
LogP3.20
Rot. Bonds7

About [3-[(2-fluorophenyl)methyl]-1-(3-methylsulfanylpropyl)piperidin-3-yl]methanol

[3-[(2-fluorophenyl)methyl]-1-(3-methylsulfanylpropyl)piperidin-3-yl]methanol (PubChem CID 23723791) has the molecular formula C17H26FNOS and a molecular weight of 311.47 g/mol. Its IUPAC name is [3-[(2-fluorophenyl)methyl]-1-(3-methylsulfanylpropyl)piperidin-3-yl]methanol.

Molecular Properties

Compound Name[3-[(2-fluorophenyl)methyl]-1-(3-methylsulfanylpropyl)piperidin-3-yl]methanol
PubChem CID23723791
Molecular FormulaC17H26FNOS
Molecular Weight311.47 g/mol
Exact Mass311.17
IUPAC Name[3-[(2-fluorophenyl)methyl]-1-(3-methylsulfanylpropyl)piperidin-3-yl]methanol
SMILESCSCCCN1CCCC(CO)(Cc2ccccc2F)C1
InChIInChI=1S/C17H26FNOS/c1-21-11-5-10-19-9-4-8-17(13-19,14-20)12-15-6-2-3-7-16(15)18/h2-3,6-7,20H,4-5,8-14H2,1H3
InChIKeyPOEDOYNPUCSBLY-UHFFFAOYSA-N
XLogP3.20
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.47
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [3-[(2-fluorophenyl)methyl]-1-(3-methylsulfanylpropyl)piperidin-3-yl]methanol?
The IUPAC name of [3-[(2-fluorophenyl)methyl]-1-(3-methylsulfanylpropyl)piperidin-3-yl]methanol (CID 23723791) is [3-[(2-fluorophenyl)methyl]-1-(3-methylsulfanylpropyl)piperidin-3-yl]methanol.
What is the SMILES notation for [3-[(2-fluorophenyl)methyl]-1-(3-methylsulfanylpropyl)piperidin-3-yl]methanol?
The canonical SMILES for [3-[(2-fluorophenyl)methyl]-1-(3-methylsulfanylpropyl)piperidin-3-yl]methanol is CSCCCN1CCCC(CO)(Cc2ccccc2F)C1.
What is the InChIKey of [3-[(2-fluorophenyl)methyl]-1-(3-methylsulfanylpropyl)piperidin-3-yl]methanol?
The InChIKey is POEDOYNPUCSBLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26FNOS/c1-21-11-5-10-19-9-4-8-17(13-19,14-20)12-15-6-2-3-7-16(15)18/h2-3,6-7,20H,4-5,8-14H2,1H3.
What are the key properties of [3-[(2-fluorophenyl)methyl]-1-(3-methylsulfanylpropyl)piperidin-3-yl]methanol?
[3-[(2-fluorophenyl)methyl]-1-(3-methylsulfanylpropyl)piperidin-3-yl]methanol has a molecular weight of 311.47 g/mol, XLogP of 3.20, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(2-fluorophenyl)methyl]-1-(3-methylsulfanylpropyl)piperidin-3-yl]methanol is sourced from PubChem (CID 23723791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).