4-(4-fluorophenoxy)-2-[(3R)-3-(1H-imidazol-2-yl)piperidin-1-yl]pyrimidine

C18H18FN5O — CID 97314093

IUPAC4-(4-fluorophenoxy)-2-[(3R)-3-(1H-imidazol-2-yl)piperidin-1-yl]pyrimidine
SMILESFc1ccc(Oc2ccnc(N3CCC[C@@H](c4ncc[nH]4)C3)n2)cc1
InChIInChI=1S/C18H18FN5O/c19-14-3-5-15(6-4-14)25-16-7-8-22-18(23-16)24-11-1-2-13(12-24)17-20-9-10-21-17/h3-10,13H,1-2,11-12H2,(H,20,21)/t13-/m1/s1
InChIKeyUIDBAZQDIMMZOD-CYBMUJFWSA-N
MW339.37 g/mol
LogP3.52
Rot. Bonds4

About 4-(4-fluorophenoxy)-2-[(3R)-3-(1H-imidazol-2-yl)piperidin-1-yl]pyrimidine

4-(4-fluorophenoxy)-2-[(3R)-3-(1H-imidazol-2-yl)piperidin-1-yl]pyrimidine (PubChem CID 97314093) has the molecular formula C18H18FN5O and a molecular weight of 339.37 g/mol. Its IUPAC name is 4-(4-fluorophenoxy)-2-[(3R)-3-(1H-imidazol-2-yl)piperidin-1-yl]pyrimidine.

Molecular Properties

Compound Name4-(4-fluorophenoxy)-2-[(3R)-3-(1H-imidazol-2-yl)piperidin-1-yl]pyrimidine
PubChem CID97314093
Molecular FormulaC18H18FN5O
Molecular Weight339.37 g/mol
Exact Mass339.15
IUPAC Name4-(4-fluorophenoxy)-2-[(3R)-3-(1H-imidazol-2-yl)piperidin-1-yl]pyrimidine
SMILESFc1ccc(Oc2ccnc(N3CCC[C@@H](c4ncc[nH]4)C3)n2)cc1
InChIInChI=1S/C18H18FN5O/c19-14-3-5-15(6-4-14)25-16-7-8-22-18(23-16)24-11-1-2-13(12-24)17-20-9-10-21-17/h3-10,13H,1-2,11-12H2,(H,20,21)/t13-/m1/s1
InChIKeyUIDBAZQDIMMZOD-CYBMUJFWSA-N
XLogP3.52
TPSA66.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.37
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-(4-fluorophenoxy)-2-[(3R)-3-(1H-imidazol-2-yl)piperidin-1-yl]pyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(4-fluorophenoxy)-2-[2-(1H-imidazol-2-yl)piperidin-1-yl]pyrimidine
CID 71924502
1-[4-(4-fluorophenoxy)pyrimidin-2-yl]-4-methylazepane
CID 56574045
4-(4-fluorophenoxy)-2-[4-(1-methylpiperidin-3-yl)piperazin-1-yl]pyrimidine
CID 133315639
1-[4-(4-fluorophenoxy)pyrimidin-2-yl]-N-pentan-2-ylpiperidine-3-carboxamide
CID 56574344
1-[(4-fluorophenyl)methyl]-3-(1H-imidazol-2-yl)piperidine
CID 75512434
1-[4-(4-fluorophenoxy)pyrimidin-2-yl]-N-(3-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 56574228
3-methyl-5-[(3S)-1-(4-phenoxypyrimidin-2-yl)piperidin-3-yl]-1,2,4-oxadiazole
CID 124889413
4-(difluoromethyl)-2-[3-(1H-imidazol-2-yl)piperidin-1-yl]pyridine
CID 166270987
4-amino-2-[3-(1H-imidazol-2-yl)piperidin-1-yl]pyrimidine-5-carbonitrile
CID 131900302
2-[3-(1H-imidazol-2-yl)piperidin-1-yl]-3-piperidin-1-ylquinoxaline
CID 127741692
2-[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-4-(4-fluorophenoxy)pyrimidine
CID 56575728
1-adamantyl-[4-[4-(4-fluorophenoxy)pyrimidin-2-yl]piperazin-1-yl]methanone
CID 56575339

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenoxy)-2-[(3R)-3-(1H-imidazol-2-yl)piperidin-1-yl]pyrimidine?
The IUPAC name of 4-(4-fluorophenoxy)-2-[(3R)-3-(1H-imidazol-2-yl)piperidin-1-yl]pyrimidine (CID 97314093) is 4-(4-fluorophenoxy)-2-[(3R)-3-(1H-imidazol-2-yl)piperidin-1-yl]pyrimidine.
What is the SMILES notation for 4-(4-fluorophenoxy)-2-[(3R)-3-(1H-imidazol-2-yl)piperidin-1-yl]pyrimidine?
The canonical SMILES for 4-(4-fluorophenoxy)-2-[(3R)-3-(1H-imidazol-2-yl)piperidin-1-yl]pyrimidine is Fc1ccc(Oc2ccnc(N3CCC[C@@H](c4ncc[nH]4)C3)n2)cc1.
What is the InChIKey of 4-(4-fluorophenoxy)-2-[(3R)-3-(1H-imidazol-2-yl)piperidin-1-yl]pyrimidine?
The InChIKey is UIDBAZQDIMMZOD-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H18FN5O/c19-14-3-5-15(6-4-14)25-16-7-8-22-18(23-16)24-11-1-2-13(12-24)17-20-9-10-21-17/h3-10,13H,1-2,11-12H2,(H,20,21)/t13-/m1/s1.
What are the key properties of 4-(4-fluorophenoxy)-2-[(3R)-3-(1H-imidazol-2-yl)piperidin-1-yl]pyrimidine?
4-(4-fluorophenoxy)-2-[(3R)-3-(1H-imidazol-2-yl)piperidin-1-yl]pyrimidine has a molecular weight of 339.37 g/mol, XLogP of 3.52, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenoxy)-2-[(3R)-3-(1H-imidazol-2-yl)piperidin-1-yl]pyrimidine is sourced from PubChem (CID 97314093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).