(3R,4R)-4-[4-(2-fluorophenyl)piperazin-1-yl]-1-[4-(hydroxymethyl)-1,3-thiazol-2-yl]piperidin-3-ol

C19H25FN4O2S — CID 56872579

IUPAC(3R,4R)-4-[4-(2-fluorophenyl)piperazin-1-yl]-1-[4-(hydroxymethyl)-1,3-thiazol-2-yl]piperidin-3-ol
SMILESOCc1csc(N2CC[C@@H](N3CCN(c4ccccc4F)CC3)[C@H](O)C2)n1
InChIInChI=1S/C19H25FN4O2S/c20-15-3-1-2-4-16(15)22-7-9-23(10-8-22)17-5-6-24(11-18(17)26)19-21-14(12-25)13-27-19/h1-4,13,17-18,25-26H,5-12H2/t17-,18-/m1/s1
InChIKeySODAIVYIMXSBJR-QZTJIDSGSA-N
MW392.50 g/mol
LogP1.54
Rot. Bonds4

About (3R,4R)-4-[4-(2-fluorophenyl)piperazin-1-yl]-1-[4-(hydroxymethyl)-1,3-thiazol-2-yl]piperidin-3-ol

(3R,4R)-4-[4-(2-fluorophenyl)piperazin-1-yl]-1-[4-(hydroxymethyl)-1,3-thiazol-2-yl]piperidin-3-ol (PubChem CID 56872579) has the molecular formula C19H25FN4O2S and a molecular weight of 392.50 g/mol. Its IUPAC name is (3R,4R)-4-[4-(2-fluorophenyl)piperazin-1-yl]-1-[4-(hydroxymethyl)-1,3-thiazol-2-yl]piperidin-3-ol.

Molecular Properties

Compound Name(3R,4R)-4-[4-(2-fluorophenyl)piperazin-1-yl]-1-[4-(hydroxymethyl)-1,3-thiazol-2-yl]piperidin-3-ol
PubChem CID56872579
Molecular FormulaC19H25FN4O2S
Molecular Weight392.50 g/mol
Exact Mass392.17
IUPAC Name(3R,4R)-4-[4-(2-fluorophenyl)piperazin-1-yl]-1-[4-(hydroxymethyl)-1,3-thiazol-2-yl]piperidin-3-ol
SMILESOCc1csc(N2CC[C@@H](N3CCN(c4ccccc4F)CC3)[C@H](O)C2)n1
InChIInChI=1S/C19H25FN4O2S/c20-15-3-1-2-4-16(15)22-7-9-23(10-8-22)17-5-6-24(11-18(17)26)19-21-14(12-25)13-27-19/h1-4,13,17-18,25-26H,5-12H2/t17-,18-/m1/s1
InChIKeySODAIVYIMXSBJR-QZTJIDSGSA-N
XLogP1.54
TPSA63.07 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

(3R,4R)-1-(2-aminopyrimidin-4-yl)-4-[4-(2-fluorophenyl)piperazin-1-yl]piperidin-3-ol
CID 56877712
(3S,4S)-1-[4-(hydroxymethyl)-1,3-thiazol-2-yl]-4-naphthalen-2-ylpiperidin-3-ol
CID 50965295
(6S)-1-benzyl-4-[4-(hydroxymethyl)-1,3-thiazol-2-yl]-1,4-diazepan-6-ol
CID 100599650
(2,4-dimethyl-1,3-thiazol-5-yl)-[(3R,4R)-4-[4-(2-fluorophenyl)piperazin-1-yl]-3-hydroxypiperidin-1-yl]methanone
CID 25276578
2-[4-(2-fluorophenyl)piperazin-1-yl]-1,3-thiazole-4-carboxylic acid
CID 80568894
(3S,4S)-4-[4-(2-fluorophenyl)piperazin-1-yl]-1-[(4-methylsulfanylphenyl)methyl]piperidin-3-ol
CID 133122430
(3R,4R)-4-[4-(2-fluorophenyl)piperazin-1-yl]-1-(quinolin-4-ylmethyl)piperidin-3-ol
CID 29000908
4-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-2-methyl-1,3-thiazole
CID 154828993
1-[4-(2-fluorophenyl)piperazin-1-yl]-3-(2-methyl-1,3-thiazol-4-yl)propan-1-one
CID 110332735
[6-[4-(2-fluorophenyl)piperazin-1-yl]pyridazin-3-yl]methanol
CID 61254158
[(3R,4R)-4-[4-(2-fluorophenyl)piperazin-1-yl]-3-hydroxypiperidin-1-yl]-(2-methyl-3-pyridinyl)methanone
CID 25276447
[2-[4-(3-methylphenoxy)piperidin-1-yl]-1,3-thiazol-4-yl]methanol
CID 72934410

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-4-[4-(2-fluorophenyl)piperazin-1-yl]-1-[4-(hydroxymethyl)-1,3-thiazol-2-yl]piperidin-3-ol?
The IUPAC name of (3R,4R)-4-[4-(2-fluorophenyl)piperazin-1-yl]-1-[4-(hydroxymethyl)-1,3-thiazol-2-yl]piperidin-3-ol (CID 56872579) is (3R,4R)-4-[4-(2-fluorophenyl)piperazin-1-yl]-1-[4-(hydroxymethyl)-1,3-thiazol-2-yl]piperidin-3-ol.
What is the SMILES notation for (3R,4R)-4-[4-(2-fluorophenyl)piperazin-1-yl]-1-[4-(hydroxymethyl)-1,3-thiazol-2-yl]piperidin-3-ol?
The canonical SMILES for (3R,4R)-4-[4-(2-fluorophenyl)piperazin-1-yl]-1-[4-(hydroxymethyl)-1,3-thiazol-2-yl]piperidin-3-ol is OCc1csc(N2CC[C@@H](N3CCN(c4ccccc4F)CC3)[C@H](O)C2)n1.
What is the InChIKey of (3R,4R)-4-[4-(2-fluorophenyl)piperazin-1-yl]-1-[4-(hydroxymethyl)-1,3-thiazol-2-yl]piperidin-3-ol?
The InChIKey is SODAIVYIMXSBJR-QZTJIDSGSA-N. The full InChI is InChI=1S/C19H25FN4O2S/c20-15-3-1-2-4-16(15)22-7-9-23(10-8-22)17-5-6-24(11-18(17)26)19-21-14(12-25)13-27-19/h1-4,13,17-18,25-26H,5-12H2/t17-,18-/m1/s1.
What are the key properties of (3R,4R)-4-[4-(2-fluorophenyl)piperazin-1-yl]-1-[4-(hydroxymethyl)-1,3-thiazol-2-yl]piperidin-3-ol?
(3R,4R)-4-[4-(2-fluorophenyl)piperazin-1-yl]-1-[4-(hydroxymethyl)-1,3-thiazol-2-yl]piperidin-3-ol has a molecular weight of 392.50 g/mol, XLogP of 1.54, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-4-[4-(2-fluorophenyl)piperazin-1-yl]-1-[4-(hydroxymethyl)-1,3-thiazol-2-yl]piperidin-3-ol is sourced from PubChem (CID 56872579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).