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

C19H20FN3O2 — CID 50960592

IUPAC(3S,4S)-4-(4-fluorophenyl)-1-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]piperidin-3-ol
SMILESO[C@@H]1CN(Cc2ccc(-c3ccn[nH]3)o2)CC[C@H]1c1ccc(F)cc1
InChIInChI=1S/C19H20FN3O2/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
InChIKeySWFPKENPOXJCII-FUHWJXTLSA-N
MW341.39 g/mol
LogP3.16
Rot. Bonds4

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

(3S,4S)-4-(4-fluorophenyl)-1-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]piperidin-3-ol (PubChem CID 50960592) has the molecular formula C19H20FN3O2 and a molecular weight of 341.39 g/mol. Its IUPAC name is (3S,4S)-4-(4-fluorophenyl)-1-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]piperidin-3-ol.

Molecular Properties

Compound Name(3S,4S)-4-(4-fluorophenyl)-1-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]piperidin-3-ol
PubChem CID50960592
Molecular FormulaC19H20FN3O2
Molecular Weight341.39 g/mol
Exact Mass341.15
IUPAC Name(3S,4S)-4-(4-fluorophenyl)-1-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]piperidin-3-ol
SMILESO[C@@H]1CN(Cc2ccc(-c3ccn[nH]3)o2)CC[C@H]1c1ccc(F)cc1
InChIInChI=1S/C19H20FN3O2/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
InChIKeySWFPKENPOXJCII-FUHWJXTLSA-N
XLogP3.16
TPSA65.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.39
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3S,4S)-4-(4-fluorophenyl)-1-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]piperidin-3-ol?
The IUPAC name of (3S,4S)-4-(4-fluorophenyl)-1-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]piperidin-3-ol (CID 50960592) is (3S,4S)-4-(4-fluorophenyl)-1-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]piperidin-3-ol.
What is the SMILES notation for (3S,4S)-4-(4-fluorophenyl)-1-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]piperidin-3-ol?
The canonical SMILES for (3S,4S)-4-(4-fluorophenyl)-1-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]piperidin-3-ol is O[C@@H]1CN(Cc2ccc(-c3ccn[nH]3)o2)CC[C@H]1c1ccc(F)cc1.
What is the InChIKey of (3S,4S)-4-(4-fluorophenyl)-1-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]piperidin-3-ol?
The InChIKey is SWFPKENPOXJCII-FUHWJXTLSA-N. The full InChI is InChI=1S/C19H20FN3O2/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)furan-2-yl]methyl]piperidin-3-ol?
(3S,4S)-4-(4-fluorophenyl)-1-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]piperidin-3-ol has a molecular weight of 341.39 g/mol, XLogP of 3.16, 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)furan-2-yl]methyl]piperidin-3-ol is sourced from PubChem (CID 50960592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).