(3R,4R)-1-(6-aminopyrimidin-4-yl)-4-[4-(2-fluorophenyl)piperazin-1-yl]piperidin-3-ol

C19H25FN6O — CID 56866630

IUPAC(3R,4R)-1-(6-aminopyrimidin-4-yl)-4-[4-(2-fluorophenyl)piperazin-1-yl]piperidin-3-ol
SMILESNc1cc(N2CC[C@@H](N3CCN(c4ccccc4F)CC3)[C@H](O)C2)ncn1
InChIInChI=1S/C19H25FN6O/c20-14-3-1-2-4-15(14)24-7-9-25(10-8-24)16-5-6-26(12-17(16)27)19-11-18(21)22-13-23-19/h1-4,11,13,16-17,27H,5-10,12H2,(H2,21,22,23)/t16-,17-/m1/s1
InChIKeyZBUXAJXCMMMDNW-IAGOWNOFSA-N
MW372.45 g/mol
LogP0.96
Rot. Bonds3

About (3R,4R)-1-(6-aminopyrimidin-4-yl)-4-[4-(2-fluorophenyl)piperazin-1-yl]piperidin-3-ol

(3R,4R)-1-(6-aminopyrimidin-4-yl)-4-[4-(2-fluorophenyl)piperazin-1-yl]piperidin-3-ol (PubChem CID 56866630) has the molecular formula C19H25FN6O and a molecular weight of 372.45 g/mol. Its IUPAC name is (3R,4R)-1-(6-aminopyrimidin-4-yl)-4-[4-(2-fluorophenyl)piperazin-1-yl]piperidin-3-ol.

Molecular Properties

Compound Name(3R,4R)-1-(6-aminopyrimidin-4-yl)-4-[4-(2-fluorophenyl)piperazin-1-yl]piperidin-3-ol
PubChem CID56866630
Molecular FormulaC19H25FN6O
Molecular Weight372.45 g/mol
Exact Mass372.21
IUPAC Name(3R,4R)-1-(6-aminopyrimidin-4-yl)-4-[4-(2-fluorophenyl)piperazin-1-yl]piperidin-3-ol
SMILESNc1cc(N2CC[C@@H](N3CCN(c4ccccc4F)CC3)[C@H](O)C2)ncn1
InChIInChI=1S/C19H25FN6O/c20-14-3-1-2-4-15(14)24-7-9-25(10-8-24)16-5-6-26(12-17(16)27)19-11-18(21)22-13-23-19/h1-4,11,13,16-17,27H,5-10,12H2,(H2,21,22,23)/t16-,17-/m1/s1
InChIKeyZBUXAJXCMMMDNW-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

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Frequently Asked Questions

What is the IUPAC name of (3R,4R)-1-(6-aminopyrimidin-4-yl)-4-[4-(2-fluorophenyl)piperazin-1-yl]piperidin-3-ol?
The IUPAC name of (3R,4R)-1-(6-aminopyrimidin-4-yl)-4-[4-(2-fluorophenyl)piperazin-1-yl]piperidin-3-ol (CID 56866630) is (3R,4R)-1-(6-aminopyrimidin-4-yl)-4-[4-(2-fluorophenyl)piperazin-1-yl]piperidin-3-ol.
What is the SMILES notation for (3R,4R)-1-(6-aminopyrimidin-4-yl)-4-[4-(2-fluorophenyl)piperazin-1-yl]piperidin-3-ol?
The canonical SMILES for (3R,4R)-1-(6-aminopyrimidin-4-yl)-4-[4-(2-fluorophenyl)piperazin-1-yl]piperidin-3-ol is Nc1cc(N2CC[C@@H](N3CCN(c4ccccc4F)CC3)[C@H](O)C2)ncn1.
What is the InChIKey of (3R,4R)-1-(6-aminopyrimidin-4-yl)-4-[4-(2-fluorophenyl)piperazin-1-yl]piperidin-3-ol?
The InChIKey is ZBUXAJXCMMMDNW-IAGOWNOFSA-N. The full InChI is InChI=1S/C19H25FN6O/c20-14-3-1-2-4-15(14)24-7-9-25(10-8-24)16-5-6-26(12-17(16)27)19-11-18(21)22-13-23-19/h1-4,11,13,16-17,27H,5-10,12H2,(H2,21,22,23)/t16-,17-/m1/s1.
What are the key properties of (3R,4R)-1-(6-aminopyrimidin-4-yl)-4-[4-(2-fluorophenyl)piperazin-1-yl]piperidin-3-ol?
(3R,4R)-1-(6-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-(6-aminopyrimidin-4-yl)-4-[4-(2-fluorophenyl)piperazin-1-yl]piperidin-3-ol is sourced from PubChem (CID 56866630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).