(3S,4S)-4-(4-fluorophenyl)-1-[[5-(1H-pyrazol-5-yl)thiophen-2-yl]methyl]piperidin-3-ol

C19H20FN3OS — CID 50949253

IUPAC(3S,4S)-4-(4-fluorophenyl)-1-[[5-(1H-pyrazol-5-yl)thiophen-2-yl]methyl]piperidin-3-ol
SMILESO[C@@H]1CN(Cc2ccc(-c3ccn[nH]3)s2)CC[C@H]1c1ccc(F)cc1
InChIInChI=1S/C19H20FN3OS/c20-14-3-1-13(2-4-14)16-8-10-23(12-18(16)24)11-15-5-6-19(25-15)17-7-9-21-22-17/h1-7,9,16,18,24H,8,10-12H2,(H,21,22)/t16-,18+/m0/s1
InChIKeyGXMDTLOUJREHCC-FUHWJXTLSA-N
MW357.45 g/mol
LogP3.63
Rot. Bonds4

About (3S,4S)-4-(4-fluorophenyl)-1-[[5-(1H-pyrazol-5-yl)thiophen-2-yl]methyl]piperidin-3-ol

(3S,4S)-4-(4-fluorophenyl)-1-[[5-(1H-pyrazol-5-yl)thiophen-2-yl]methyl]piperidin-3-ol (PubChem CID 50949253) has the molecular formula C19H20FN3OS and a molecular weight of 357.45 g/mol. Its IUPAC name is (3S,4S)-4-(4-fluorophenyl)-1-[[5-(1H-pyrazol-5-yl)thiophen-2-yl]methyl]piperidin-3-ol.

Molecular Properties

Compound Name(3S,4S)-4-(4-fluorophenyl)-1-[[5-(1H-pyrazol-5-yl)thiophen-2-yl]methyl]piperidin-3-ol
PubChem CID50949253
Molecular FormulaC19H20FN3OS
Molecular Weight357.45 g/mol
Exact Mass357.13
IUPAC Name(3S,4S)-4-(4-fluorophenyl)-1-[[5-(1H-pyrazol-5-yl)thiophen-2-yl]methyl]piperidin-3-ol
SMILESO[C@@H]1CN(Cc2ccc(-c3ccn[nH]3)s2)CC[C@H]1c1ccc(F)cc1
InChIInChI=1S/C19H20FN3OS/c20-14-3-1-13(2-4-14)16-8-10-23(12-18(16)24)11-15-5-6-19(25-15)17-7-9-21-22-17/h1-7,9,16,18,24H,8,10-12H2,(H,21,22)/t16-,18+/m0/s1
InChIKeyGXMDTLOUJREHCC-FUHWJXTLSA-N
XLogP3.63
TPSA52.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.45
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (3S,4S)-4-(4-fluorophenyl)-1-[[5-(1H-pyrazol-5-yl)thiophen-2-yl]methyl]piperidin-3-ol with MolForge

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Related Compounds

1-{[3-(2,5-dimethyl-3-thienyl)-1-(2-fluorophenyl)-1H-pyrazol-4-yl]methyl}-3-piperidinol
CID 16189223
2-[(4-methylsulfanylphenyl)methyl-[[5-(1H-pyrazol-5-yl)thiophen-2-yl]methyl]amino]ethanol
CID 46994934
2-[4-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-1-(thiophen-2-ylmethyl)piperazin-2-yl]ethanol
CID 45230966
(3S,4R)-1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-4-(3-methylthiophen-2-yl)piperidin-3-ol
CID 50953514
(3S*,4R*)-4-(3-methyl-2-thienyl)-1-[4-(1H-pyrazol-3-yl)benzoyl]piperidin-3-ol
CID 50959188
4-(hydroxymethyl)-1-{[5-(1H-pyrazol-3-yl)-2-thienyl]methyl}piperidin-4-ol
CID 56755407
2-[4-[[5-(3-fluorophenyl)-1H-pyrazol-4-yl]methyl]-1-(thiophen-3-ylmethyl)piperazin-2-yl]ethanol
CID 45190301
2-[4-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-1-(thiophen-3-ylmethyl)piperazin-2-yl]ethanol
CID 45232160
(3S,4S)-4-(4-fluorophenyl)-1-[(5-phenyl-1H-pyrazol-4-yl)methyl]piperidin-3-ol
CID 50984812
(3S,4S)-4-[4-(hydroxymethyl)piperidin-1-yl]-1-[[5-(1H-pyrazol-5-yl)thiophen-2-yl]methyl]pyrrolidin-3-ol
CID 56888390
1-(3-fluorobenzyl)-4-{[5-(1H-pyrazol-3-yl)-2-thienyl]methyl}piperazine
CID 56899892
(1R)-1-(4-fluorophenyl)-2-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methylamino]ethanol
CID 97832308

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-4-(4-fluorophenyl)-1-[[5-(1H-pyrazol-5-yl)thiophen-2-yl]methyl]piperidin-3-ol?
The IUPAC name of (3S,4S)-4-(4-fluorophenyl)-1-[[5-(1H-pyrazol-5-yl)thiophen-2-yl]methyl]piperidin-3-ol (CID 50949253) is (3S,4S)-4-(4-fluorophenyl)-1-[[5-(1H-pyrazol-5-yl)thiophen-2-yl]methyl]piperidin-3-ol.
What is the SMILES notation for (3S,4S)-4-(4-fluorophenyl)-1-[[5-(1H-pyrazol-5-yl)thiophen-2-yl]methyl]piperidin-3-ol?
The canonical SMILES for (3S,4S)-4-(4-fluorophenyl)-1-[[5-(1H-pyrazol-5-yl)thiophen-2-yl]methyl]piperidin-3-ol is O[C@@H]1CN(Cc2ccc(-c3ccn[nH]3)s2)CC[C@H]1c1ccc(F)cc1.
What is the InChIKey of (3S,4S)-4-(4-fluorophenyl)-1-[[5-(1H-pyrazol-5-yl)thiophen-2-yl]methyl]piperidin-3-ol?
The InChIKey is GXMDTLOUJREHCC-FUHWJXTLSA-N. The full InChI is InChI=1S/C19H20FN3OS/c20-14-3-1-13(2-4-14)16-8-10-23(12-18(16)24)11-15-5-6-19(25-15)17-7-9-21-22-17/h1-7,9,16,18,24H,8,10-12H2,(H,21,22)/t16-,18+/m0/s1.
What are the key properties of (3S,4S)-4-(4-fluorophenyl)-1-[[5-(1H-pyrazol-5-yl)thiophen-2-yl]methyl]piperidin-3-ol?
(3S,4S)-4-(4-fluorophenyl)-1-[[5-(1H-pyrazol-5-yl)thiophen-2-yl]methyl]piperidin-3-ol has a molecular weight of 357.45 g/mol, XLogP of 3.63, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-4-(4-fluorophenyl)-1-[[5-(1H-pyrazol-5-yl)thiophen-2-yl]methyl]piperidin-3-ol is sourced from PubChem (CID 50949253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).