[(3S)-3-[(4-fluorophenyl)methyl]-1-(3-methylsulfanylpropyl)piperidin-3-yl]methanol

C17H26FNOS — CID 25325373

IUPAC[(3S)-3-[(4-fluorophenyl)methyl]-1-(3-methylsulfanylpropyl)piperidin-3-yl]methanol
SMILESCSCCCN1CCC[C@](CO)(Cc2ccc(F)cc2)C1
InChIInChI=1S/C17H26FNOS/c1-21-11-3-10-19-9-2-8-17(13-19,14-20)12-15-4-6-16(18)7-5-15/h4-7,20H,2-3,8-14H2,1H3/t17-/m0/s1
InChIKeyWUTLZGJLPFCURX-KRWDZBQOSA-N
MW311.47 g/mol
LogP3.20
Rot. Bonds7

About [(3S)-3-[(4-fluorophenyl)methyl]-1-(3-methylsulfanylpropyl)piperidin-3-yl]methanol

[(3S)-3-[(4-fluorophenyl)methyl]-1-(3-methylsulfanylpropyl)piperidin-3-yl]methanol (PubChem CID 25325373) has the molecular formula C17H26FNOS and a molecular weight of 311.47 g/mol. Its IUPAC name is [(3S)-3-[(4-fluorophenyl)methyl]-1-(3-methylsulfanylpropyl)piperidin-3-yl]methanol.

Molecular Properties

Compound Name[(3S)-3-[(4-fluorophenyl)methyl]-1-(3-methylsulfanylpropyl)piperidin-3-yl]methanol
PubChem CID25325373
Molecular FormulaC17H26FNOS
Molecular Weight311.47 g/mol
Exact Mass311.17
IUPAC Name[(3S)-3-[(4-fluorophenyl)methyl]-1-(3-methylsulfanylpropyl)piperidin-3-yl]methanol
SMILESCSCCCN1CCC[C@](CO)(Cc2ccc(F)cc2)C1
InChIInChI=1S/C17H26FNOS/c1-21-11-3-10-19-9-2-8-17(13-19,14-20)12-15-4-6-16(18)7-5-15/h4-7,20H,2-3,8-14H2,1H3/t17-/m0/s1
InChIKeyWUTLZGJLPFCURX-KRWDZBQOSA-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 [(3S)-3-[(4-fluorophenyl)methyl]-1-(3-methylsulfanylpropyl)piperidin-3-yl]methanol?
The IUPAC name of [(3S)-3-[(4-fluorophenyl)methyl]-1-(3-methylsulfanylpropyl)piperidin-3-yl]methanol (CID 25325373) is [(3S)-3-[(4-fluorophenyl)methyl]-1-(3-methylsulfanylpropyl)piperidin-3-yl]methanol.
What is the SMILES notation for [(3S)-3-[(4-fluorophenyl)methyl]-1-(3-methylsulfanylpropyl)piperidin-3-yl]methanol?
The canonical SMILES for [(3S)-3-[(4-fluorophenyl)methyl]-1-(3-methylsulfanylpropyl)piperidin-3-yl]methanol is CSCCCN1CCC[C@](CO)(Cc2ccc(F)cc2)C1.
What is the InChIKey of [(3S)-3-[(4-fluorophenyl)methyl]-1-(3-methylsulfanylpropyl)piperidin-3-yl]methanol?
The InChIKey is WUTLZGJLPFCURX-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H26FNOS/c1-21-11-3-10-19-9-2-8-17(13-19,14-20)12-15-4-6-16(18)7-5-15/h4-7,20H,2-3,8-14H2,1H3/t17-/m0/s1.
What are the key properties of [(3S)-3-[(4-fluorophenyl)methyl]-1-(3-methylsulfanylpropyl)piperidin-3-yl]methanol?
[(3S)-3-[(4-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 [(3S)-3-[(4-fluorophenyl)methyl]-1-(3-methylsulfanylpropyl)piperidin-3-yl]methanol is sourced from PubChem (CID 25325373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).