[2-[(2-fluorophenyl)-hydroxymethyl]thiophen-3-yl]-(1-methylpiperidin-4-yl)methanol

C18H22FNO2S — CID 15728751

IUPAC[2-[(2-fluorophenyl)-hydroxymethyl]thiophen-3-yl]-(1-methylpiperidin-4-yl)methanol
SMILESCN1CCC(C(O)c2ccsc2C(O)c2ccccc2F)CC1
InChIInChI=1S/C18H22FNO2S/c1-20-9-6-12(7-10-20)16(21)14-8-11-23-18(14)17(22)13-4-2-3-5-15(13)19/h2-5,8,11-12,16-17,21-22H,6-7,9-10H2,1H3
InChIKeyJNDUQBRCMTWYOF-UHFFFAOYSA-N
MW335.44 g/mol
LogP3.34
Rot. Bonds4

About [2-[(2-fluorophenyl)-hydroxymethyl]thiophen-3-yl]-(1-methylpiperidin-4-yl)methanol

[2-[(2-fluorophenyl)-hydroxymethyl]thiophen-3-yl]-(1-methylpiperidin-4-yl)methanol (PubChem CID 15728751) has the molecular formula C18H22FNO2S and a molecular weight of 335.44 g/mol. Its IUPAC name is [2-[(2-fluorophenyl)-hydroxymethyl]thiophen-3-yl]-(1-methylpiperidin-4-yl)methanol.

Molecular Properties

Compound Name[2-[(2-fluorophenyl)-hydroxymethyl]thiophen-3-yl]-(1-methylpiperidin-4-yl)methanol
PubChem CID15728751
Molecular FormulaC18H22FNO2S
Molecular Weight335.44 g/mol
Exact Mass335.14
IUPAC Name[2-[(2-fluorophenyl)-hydroxymethyl]thiophen-3-yl]-(1-methylpiperidin-4-yl)methanol
SMILESCN1CCC(C(O)c2ccsc2C(O)c2ccccc2F)CC1
InChIInChI=1S/C18H22FNO2S/c1-20-9-6-12(7-10-20)16(21)14-8-11-23-18(14)17(22)13-4-2-3-5-15(13)19/h2-5,8,11-12,16-17,21-22H,6-7,9-10H2,1H3
InChIKeyJNDUQBRCMTWYOF-UHFFFAOYSA-N
XLogP3.34
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.44
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Tiemonium Iodide
CID 72142
3-[1-(3-Hydroxy-3-thiophen-2-yl-propyl)-3,4-dimethyl-piperidin-4-yl]-phenol
CID 10337639
2-(1-Benzylpiperidin-4-yl)-1-thiophen-2-ylethanol;hydrate
CID 44358010
10-methoxy-4-(1-methylpiperidin-4-yl)-4H-benzo[4.5]cyclohepta[1,2-b]thiophene-4-ol
CID 108389
Tiemonium
CID 5473
1-Piperidinepropanol, alpha-phenyl-alpha-(2-thienyl)-
CID 121415
2-Methyl-1-phenyl-3-(piperidin-1-yl)-1-(thiophen-2-yl)propan-1-ol--hydrogen chloride (1/1)
CID 3039253
3-(4-benzyl-3,6-dihydro-2H-pyridin-1-yl)-1-thiophen-2-ylpropan-1-ol
CID 66572277
1-(2-Fluorophenyl)sulfanyl-3-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]propan-2-ol
CID 70696842
10-Hydroxyketotifen
CID 323312
{2-[(2-Fluorophenyl)sulfanyl]phenyl}(1-methyl-4-piperidinyl)methanol
CID 12946438
Tiemonium, (S)-
CID 44225879

Frequently Asked Questions

What is the IUPAC name of [2-[(2-fluorophenyl)-hydroxymethyl]thiophen-3-yl]-(1-methylpiperidin-4-yl)methanol?
The IUPAC name of [2-[(2-fluorophenyl)-hydroxymethyl]thiophen-3-yl]-(1-methylpiperidin-4-yl)methanol (CID 15728751) is [2-[(2-fluorophenyl)-hydroxymethyl]thiophen-3-yl]-(1-methylpiperidin-4-yl)methanol.
What is the SMILES notation for [2-[(2-fluorophenyl)-hydroxymethyl]thiophen-3-yl]-(1-methylpiperidin-4-yl)methanol?
The canonical SMILES for [2-[(2-fluorophenyl)-hydroxymethyl]thiophen-3-yl]-(1-methylpiperidin-4-yl)methanol is CN1CCC(C(O)c2ccsc2C(O)c2ccccc2F)CC1.
What is the InChIKey of [2-[(2-fluorophenyl)-hydroxymethyl]thiophen-3-yl]-(1-methylpiperidin-4-yl)methanol?
The InChIKey is JNDUQBRCMTWYOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FNO2S/c1-20-9-6-12(7-10-20)16(21)14-8-11-23-18(14)17(22)13-4-2-3-5-15(13)19/h2-5,8,11-12,16-17,21-22H,6-7,9-10H2,1H3.
What are the key properties of [2-[(2-fluorophenyl)-hydroxymethyl]thiophen-3-yl]-(1-methylpiperidin-4-yl)methanol?
[2-[(2-fluorophenyl)-hydroxymethyl]thiophen-3-yl]-(1-methylpiperidin-4-yl)methanol has a molecular weight of 335.44 g/mol, XLogP of 3.34, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2-fluorophenyl)-hydroxymethyl]thiophen-3-yl]-(1-methylpiperidin-4-yl)methanol is sourced from PubChem (CID 15728751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).