3-[4-[2-(4-fluorophenyl)sulfanylethyl]piperidin-1-yl]-1-phenylpropan-1-ol

C22H28FNOS — CID 142912968

IUPAC3-[4-[2-(4-fluorophenyl)sulfanylethyl]piperidin-1-yl]-1-phenylpropan-1-ol
SMILESOC(CCN1CCC(CCSc2ccc(F)cc2)CC1)c1ccccc1
InChIInChI=1S/C22H28FNOS/c23-20-6-8-21(9-7-20)26-17-13-18-10-14-24(15-11-18)16-12-22(25)19-4-2-1-3-5-19/h1-9,18,22,25H,10-17H2
InChIKeyNZNMPDJJYKDVNN-UHFFFAOYSA-N
MW373.54 g/mol
LogP5.14
Rot. Bonds8

About 3-[4-[2-(4-fluorophenyl)sulfanylethyl]piperidin-1-yl]-1-phenylpropan-1-ol

3-[4-[2-(4-fluorophenyl)sulfanylethyl]piperidin-1-yl]-1-phenylpropan-1-ol (PubChem CID 142912968) has the molecular formula C22H28FNOS and a molecular weight of 373.54 g/mol. Its IUPAC name is 3-[4-[2-(4-fluorophenyl)sulfanylethyl]piperidin-1-yl]-1-phenylpropan-1-ol.

Molecular Properties

Compound Name3-[4-[2-(4-fluorophenyl)sulfanylethyl]piperidin-1-yl]-1-phenylpropan-1-ol
PubChem CID142912968
Molecular FormulaC22H28FNOS
Molecular Weight373.54 g/mol
Exact Mass373.19
IUPAC Name3-[4-[2-(4-fluorophenyl)sulfanylethyl]piperidin-1-yl]-1-phenylpropan-1-ol
SMILESOC(CCN1CCC(CCSc2ccc(F)cc2)CC1)c1ccccc1
InChIInChI=1S/C22H28FNOS/c23-20-6-8-21(9-7-20)26-17-13-18-10-14-24(15-11-18)16-12-22(25)19-4-2-1-3-5-19/h1-9,18,22,25H,10-17H2
InChIKeyNZNMPDJJYKDVNN-UHFFFAOYSA-N
XLogP5.14
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.54
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-[2-(4-Fluorophenyl)ethyl]piperidin-4-yl]-phenylmethanol
CID 44363475
(4-Fluoro-phenyl)-(1-phenethyl-piperidin-4-yl)-methanol
CID 10245066
(4-Fluoro-phenyl)-[1-(4-phenyl-butyl)-piperidin-4-yl]-methanol
CID 15212884
4-(4-Chlorophenyl)-1-[3-(4-fluorophenyl)sulfanylpropyl]piperidin-4-ol
CID 21533446
2-(1-Benzyl-piperidin-4-yl)-1-(4-methylsulfanyl-phenyl)-ethanol
CID 10042965
3-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-1-phenylpropan-1-ol
CID 145956711
4-(4-Benzylpiperidin-1-yl)-1-(4-fluorophenyl)butan-1-ol
CID 9798088
[1-[(6-fluoro-3,4-dihydro-2H-thiochromen-3-yl)methyl]piperidin-4-yl]-bis(4-fluorophenyl)methanol
CID 19982178
2-Methyl-1,1-diphenyl-3-(thiomorpholin-4-yl)propan-1-ol--hydrogen bromide (1/1)
CID 3060800
1-(4-Fluorophenyl)-4-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]butan-1-ol
CID 10666185
Bis(4-fluorophenyl)-[1-(3-phenylsulfanylpropyl)piperidin-4-yl]methanol
CID 44271585
[1-[3-(Benzenesulfonyl)propyl]piperidin-4-yl]-bis(4-fluorophenyl)methanol
CID 44271681

Frequently Asked Questions

What is the IUPAC name of 3-[4-[2-(4-fluorophenyl)sulfanylethyl]piperidin-1-yl]-1-phenylpropan-1-ol?
The IUPAC name of 3-[4-[2-(4-fluorophenyl)sulfanylethyl]piperidin-1-yl]-1-phenylpropan-1-ol (CID 142912968) is 3-[4-[2-(4-fluorophenyl)sulfanylethyl]piperidin-1-yl]-1-phenylpropan-1-ol.
What is the SMILES notation for 3-[4-[2-(4-fluorophenyl)sulfanylethyl]piperidin-1-yl]-1-phenylpropan-1-ol?
The canonical SMILES for 3-[4-[2-(4-fluorophenyl)sulfanylethyl]piperidin-1-yl]-1-phenylpropan-1-ol is OC(CCN1CCC(CCSc2ccc(F)cc2)CC1)c1ccccc1.
What is the InChIKey of 3-[4-[2-(4-fluorophenyl)sulfanylethyl]piperidin-1-yl]-1-phenylpropan-1-ol?
The InChIKey is NZNMPDJJYKDVNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28FNOS/c23-20-6-8-21(9-7-20)26-17-13-18-10-14-24(15-11-18)16-12-22(25)19-4-2-1-3-5-19/h1-9,18,22,25H,10-17H2.
What are the key properties of 3-[4-[2-(4-fluorophenyl)sulfanylethyl]piperidin-1-yl]-1-phenylpropan-1-ol?
3-[4-[2-(4-fluorophenyl)sulfanylethyl]piperidin-1-yl]-1-phenylpropan-1-ol has a molecular weight of 373.54 g/mol, XLogP of 5.14, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[2-(4-fluorophenyl)sulfanylethyl]piperidin-1-yl]-1-phenylpropan-1-ol is sourced from PubChem (CID 142912968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).