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

C19H25FN6O — CID 56877712

IUPAC(3R,4R)-1-(2-aminopyrimidin-4-yl)-4-[4-(2-fluorophenyl)piperazin-1-yl]piperidin-3-ol
SMILESNc1nccc(N2CC[C@@H](N3CCN(c4ccccc4F)CC3)[C@H](O)C2)n1
InChIInChI=1S/C19H25FN6O/c20-14-3-1-2-4-15(14)24-9-11-25(12-10-24)16-6-8-26(13-17(16)27)18-5-7-22-19(21)23-18/h1-5,7,16-17,27H,6,8-13H2,(H2,21,22,23)/t16-,17-/m1/s1
InChIKeyIMDRVGMXVWXQCQ-IAGOWNOFSA-N
MW372.45 g/mol
LogP0.96
Rot. Bonds3

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

(3R,4R)-1-(2-aminopyrimidin-4-yl)-4-[4-(2-fluorophenyl)piperazin-1-yl]piperidin-3-ol (PubChem CID 56877712) has the molecular formula C19H25FN6O and a molecular weight of 372.45 g/mol. Its IUPAC name is (3R,4R)-1-(2-aminopyrimidin-4-yl)-4-[4-(2-fluorophenyl)piperazin-1-yl]piperidin-3-ol.

Molecular Properties

Compound Name(3R,4R)-1-(2-aminopyrimidin-4-yl)-4-[4-(2-fluorophenyl)piperazin-1-yl]piperidin-3-ol
PubChem CID56877712
Molecular FormulaC19H25FN6O
Molecular Weight372.45 g/mol
Exact Mass372.21
IUPAC Name(3R,4R)-1-(2-aminopyrimidin-4-yl)-4-[4-(2-fluorophenyl)piperazin-1-yl]piperidin-3-ol
SMILESNc1nccc(N2CC[C@@H](N3CCN(c4ccccc4F)CC3)[C@H](O)C2)n1
InChIInChI=1S/C19H25FN6O/c20-14-3-1-2-4-15(14)24-9-11-25(12-10-24)16-6-8-26(13-17(16)27)18-5-7-22-19(21)23-18/h1-5,7,16-17,27H,6,8-13H2,(H2,21,22,23)/t16-,17-/m1/s1
InChIKeyIMDRVGMXVWXQCQ-IAGOWNOFSA-N
XLogP0.96
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.45
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze (3R,4R)-1-(2-aminopyrimidin-4-yl)-4-[4-(2-fluorophenyl)piperazin-1-yl]piperidin-3-ol with MolForge

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Related Compounds

(3R,4R)-4-[4-(2-fluorophenyl)piperazin-1-yl]-1-(quinolin-4-ylmethyl)piperidin-3-ol
CID 29000908
(3R,4R)-4-[4-(2-fluorophenyl)piperazin-1-yl]-1-[4-(hydroxymethyl)-1,3-thiazol-2-yl]piperidin-3-ol
CID 56872579
4-[(3S)-3-aminopyrrolidin-1-yl]pyrimidin-2-amine
CID 59631602
2-chloro-4-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidine
CID 60673897
1-(2-aminopyrimidin-4-yl)pyrrolidine-3-carboxylic acid
CID 178108022
[(3R,4R)-4-[4-(2-fluorophenyl)piperazin-1-yl]-3-hydroxypiperidin-1-yl]-(2-methyl-3-pyridinyl)methanone
CID 25276447
(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]pyrimidin-4-amine
CID 115978112
4-[3-(dimethylamino)pyrrolidin-1-yl]pyrimidin-2-amine
CID 80828220
2-[4-(2-fluorophenyl)piperazin-1-yl]-4-piperidin-1-ylpyrimidine
CID 112884490
4-[4-(2-fluorophenyl)piperazin-1-yl]-2-piperidin-1-ylpyrimidine
CID 112884673
(3S,4S)-4-[4-(2-fluorophenyl)piperazin-1-yl]-1-[(4-methylsulfanylphenyl)methyl]piperidin-3-ol
CID 133122430

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-1-(2-aminopyrimidin-4-yl)-4-[4-(2-fluorophenyl)piperazin-1-yl]piperidin-3-ol?
The IUPAC name of (3R,4R)-1-(2-aminopyrimidin-4-yl)-4-[4-(2-fluorophenyl)piperazin-1-yl]piperidin-3-ol (CID 56877712) is (3R,4R)-1-(2-aminopyrimidin-4-yl)-4-[4-(2-fluorophenyl)piperazin-1-yl]piperidin-3-ol.
What is the SMILES notation for (3R,4R)-1-(2-aminopyrimidin-4-yl)-4-[4-(2-fluorophenyl)piperazin-1-yl]piperidin-3-ol?
The canonical SMILES for (3R,4R)-1-(2-aminopyrimidin-4-yl)-4-[4-(2-fluorophenyl)piperazin-1-yl]piperidin-3-ol is Nc1nccc(N2CC[C@@H](N3CCN(c4ccccc4F)CC3)[C@H](O)C2)n1.
What is the InChIKey of (3R,4R)-1-(2-aminopyrimidin-4-yl)-4-[4-(2-fluorophenyl)piperazin-1-yl]piperidin-3-ol?
The InChIKey is IMDRVGMXVWXQCQ-IAGOWNOFSA-N. The full InChI is InChI=1S/C19H25FN6O/c20-14-3-1-2-4-15(14)24-9-11-25(12-10-24)16-6-8-26(13-17(16)27)18-5-7-22-19(21)23-18/h1-5,7,16-17,27H,6,8-13H2,(H2,21,22,23)/t16-,17-/m1/s1.
What are the key properties of (3R,4R)-1-(2-aminopyrimidin-4-yl)-4-[4-(2-fluorophenyl)piperazin-1-yl]piperidin-3-ol?
(3R,4R)-1-(2-aminopyrimidin-4-yl)-4-[4-(2-fluorophenyl)piperazin-1-yl]piperidin-3-ol has a molecular weight of 372.45 g/mol, XLogP of 0.96, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-1-(2-aminopyrimidin-4-yl)-4-[4-(2-fluorophenyl)piperazin-1-yl]piperidin-3-ol is sourced from PubChem (CID 56877712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).