1-[1-[(4-fluorophenyl)methylsulfonyl]piperidin-4-yl]ethanol

C14H20FNO3S — CID 103834665

IUPAC1-[1-[(4-fluorophenyl)methylsulfonyl]piperidin-4-yl]ethanol
SMILESCC(O)C1CCN(S(=O)(=O)Cc2ccc(F)cc2)CC1
InChIInChI=1S/C14H20FNO3S/c1-11(17)13-6-8-16(9-7-13)20(18,19)10-12-2-4-14(15)5-3-12/h2-5,11,13,17H,6-10H2,1H3
InChIKeyTXASMFZHAOGFJY-UHFFFAOYSA-N
MW301.38 g/mol
LogP1.75
Rot. Bonds4

About 1-[1-[(4-fluorophenyl)methylsulfonyl]piperidin-4-yl]ethanol

1-[1-[(4-fluorophenyl)methylsulfonyl]piperidin-4-yl]ethanol (PubChem CID 103834665) has the molecular formula C14H20FNO3S and a molecular weight of 301.38 g/mol. Its IUPAC name is 1-[1-[(4-fluorophenyl)methylsulfonyl]piperidin-4-yl]ethanol.

Molecular Properties

Compound Name1-[1-[(4-fluorophenyl)methylsulfonyl]piperidin-4-yl]ethanol
PubChem CID103834665
Molecular FormulaC14H20FNO3S
Molecular Weight301.38 g/mol
Exact Mass301.11
IUPAC Name1-[1-[(4-fluorophenyl)methylsulfonyl]piperidin-4-yl]ethanol
SMILESCC(O)C1CCN(S(=O)(=O)Cc2ccc(F)cc2)CC1
InChIInChI=1S/C14H20FNO3S/c1-11(17)13-6-8-16(9-7-13)20(18,19)10-12-2-4-14(15)5-3-12/h2-5,11,13,17H,6-10H2,1H3
InChIKeyTXASMFZHAOGFJY-UHFFFAOYSA-N
XLogP1.75
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.38
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-[(4-fluorophenyl)methylsulfonyl]piperidin-4-yl]ethanamine
CID 63596216
N-[(2R)-butan-2-yl]-1-[(4-fluorophenyl)methylsulfonyl]piperidine-4-carboxamide
CID 92802421
(1S)-1-cyclopropyl-2-[4-[(4-fluorophenyl)methylsulfonyl]piperazin-1-yl]ethanol
CID 97039297
N-[1-[(4-fluorophenyl)methylsulfonyl]piperidin-4-yl]acetamide
CID 49458586
4-[[3-(1-hydroxyethyl)pyrrolidin-1-yl]sulfonylmethyl]benzonitrile
CID 115965238
1-[(4-fluorophenyl)methylsulfonyl]-4-(methoxymethyl)piperidine
CID 71782918
3-[[4-(1-hydroxyethyl)piperidin-1-yl]sulfonylmethyl]benzonitrile
CID 103834663
1-[(4-fluorophenyl)methylsulfonyl]-4-piperidin-1-ylpiperidine
CID 110868518
[1-[(4-fluorophenyl)methylsulfonyl]piperidin-4-yl]-(4-methylphenyl)methanone
CID 55913303
[1-[(4-fluorophenyl)methylsulfonyl]piperidin-4-yl]-phenylmethanone
CID 55529221
4-[(4-fluorophenyl)methylsulfonyl]-N-propan-2-ylpiperazine-1-carboxamide
CID 110811162
1-[(4-fluorophenyl)methylsulfonyl]-N-[(1S)-1-phenylpropyl]piperidine-4-carboxamide
CID 92680370

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(4-fluorophenyl)methylsulfonyl]piperidin-4-yl]ethanol?
The IUPAC name of 1-[1-[(4-fluorophenyl)methylsulfonyl]piperidin-4-yl]ethanol (CID 103834665) is 1-[1-[(4-fluorophenyl)methylsulfonyl]piperidin-4-yl]ethanol.
What is the SMILES notation for 1-[1-[(4-fluorophenyl)methylsulfonyl]piperidin-4-yl]ethanol?
The canonical SMILES for 1-[1-[(4-fluorophenyl)methylsulfonyl]piperidin-4-yl]ethanol is CC(O)C1CCN(S(=O)(=O)Cc2ccc(F)cc2)CC1.
What is the InChIKey of 1-[1-[(4-fluorophenyl)methylsulfonyl]piperidin-4-yl]ethanol?
The InChIKey is TXASMFZHAOGFJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO3S/c1-11(17)13-6-8-16(9-7-13)20(18,19)10-12-2-4-14(15)5-3-12/h2-5,11,13,17H,6-10H2,1H3.
What are the key properties of 1-[1-[(4-fluorophenyl)methylsulfonyl]piperidin-4-yl]ethanol?
1-[1-[(4-fluorophenyl)methylsulfonyl]piperidin-4-yl]ethanol has a molecular weight of 301.38 g/mol, XLogP of 1.75, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(4-fluorophenyl)methylsulfonyl]piperidin-4-yl]ethanol is sourced from PubChem (CID 103834665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).