4-(4-benzylpiperidin-1-yl)-6-(4-fluoro-2-methylphenoxy)pyrimidine

C23H24FN3O — CID 83287337

IUPAC4-(4-benzylpiperidin-1-yl)-6-(4-fluoro-2-methylphenoxy)pyrimidine
SMILESCc1cc(F)ccc1Oc1cc(N2CCC(Cc3ccccc3)CC2)ncn1
InChIInChI=1S/C23H24FN3O/c1-17-13-20(24)7-8-21(17)28-23-15-22(25-16-26-23)27-11-9-19(10-12-27)14-18-5-3-2-4-6-18/h2-8,13,15-16,19H,9-12,14H2,1H3
InChIKeyLLWSRJVKNQFJEU-UHFFFAOYSA-N
MW377.46 g/mol
LogP5.18
Rot. Bonds5

About 4-(4-benzylpiperidin-1-yl)-6-(4-fluoro-2-methylphenoxy)pyrimidine

4-(4-benzylpiperidin-1-yl)-6-(4-fluoro-2-methylphenoxy)pyrimidine (PubChem CID 83287337) has the molecular formula C23H24FN3O and a molecular weight of 377.46 g/mol. Its IUPAC name is 4-(4-benzylpiperidin-1-yl)-6-(4-fluoro-2-methylphenoxy)pyrimidine.

Molecular Properties

Compound Name4-(4-benzylpiperidin-1-yl)-6-(4-fluoro-2-methylphenoxy)pyrimidine
PubChem CID83287337
Molecular FormulaC23H24FN3O
Molecular Weight377.46 g/mol
Exact Mass377.19
IUPAC Name4-(4-benzylpiperidin-1-yl)-6-(4-fluoro-2-methylphenoxy)pyrimidine
SMILESCc1cc(F)ccc1Oc1cc(N2CCC(Cc3ccccc3)CC2)ncn1
InChIInChI=1S/C23H24FN3O/c1-17-13-20(24)7-8-21(17)28-23-15-22(25-16-26-23)27-11-9-19(10-12-27)14-18-5-3-2-4-6-18/h2-8,13,15-16,19H,9-12,14H2,1H3
InChIKeyLLWSRJVKNQFJEU-UHFFFAOYSA-N
XLogP5.18
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.46
LogP ≤ 55.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(3R)-4-(benzenesulfonyl)-3-methylpiperazin-1-yl]-6-(4-fluoro-2-methylphenoxy)pyrimidine
CID 93297083
ethyl 4-[6-(4-fluoro-2-methylphenoxy)pyrimidin-4-yl]piperazine-1-carboxylate
CID 91634842
4-(2,4-difluorophenoxy)-6-(4-phenylpiperazin-1-yl)pyrimidine
CID 91633841
ethyl 1-[6-(4-fluoro-2-methylphenoxy)pyrimidin-4-yl]piperidine-3-carboxylate
CID 42808596
(E)-1-[4-[6-(4-fluoro-2-methylphenoxy)pyrimidin-4-yl]-2-methylpiperazin-1-yl]-3-phenylprop-2-en-1-one
CID 83276006
(E)-1-[(2S)-4-[6-(4-fluoro-2-methylphenoxy)pyrimidin-4-yl]-2-methylpiperazin-1-yl]-3-phenylprop-2-en-1-one
CID 93296760
N-[6-(4-benzylpiperidin-1-yl)pyrimidin-4-yl]-N',N'-dimethylethane-1,2-diamine
CID 112857435
4-(2-fluorophenoxy)-6-(4-methylpiperazin-1-yl)pyrimidine
CID 24715570
1-[6-(2,4-difluorophenoxy)pyrimidin-4-yl]azepane
CID 83289257
[4-[6-(4-fluoro-2-methylphenoxy)pyrimidin-4-yl]-2-methylpiperazin-1-yl]-(4-methylphenyl)methanone
CID 83288832
4-(2-fluorophenoxy)-6-[4-(4-methylphenyl)piperazin-1-yl]pyrimidine
CID 83288340
4-(4-benzylpiperazin-1-yl)-6-(4-fluorophenoxy)pyrimidine
CID 83289215

Frequently Asked Questions

What is the IUPAC name of 4-(4-benzylpiperidin-1-yl)-6-(4-fluoro-2-methylphenoxy)pyrimidine?
The IUPAC name of 4-(4-benzylpiperidin-1-yl)-6-(4-fluoro-2-methylphenoxy)pyrimidine (CID 83287337) is 4-(4-benzylpiperidin-1-yl)-6-(4-fluoro-2-methylphenoxy)pyrimidine.
What is the SMILES notation for 4-(4-benzylpiperidin-1-yl)-6-(4-fluoro-2-methylphenoxy)pyrimidine?
The canonical SMILES for 4-(4-benzylpiperidin-1-yl)-6-(4-fluoro-2-methylphenoxy)pyrimidine is Cc1cc(F)ccc1Oc1cc(N2CCC(Cc3ccccc3)CC2)ncn1.
What is the InChIKey of 4-(4-benzylpiperidin-1-yl)-6-(4-fluoro-2-methylphenoxy)pyrimidine?
The InChIKey is LLWSRJVKNQFJEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN3O/c1-17-13-20(24)7-8-21(17)28-23-15-22(25-16-26-23)27-11-9-19(10-12-27)14-18-5-3-2-4-6-18/h2-8,13,15-16,19H,9-12,14H2,1H3.
What are the key properties of 4-(4-benzylpiperidin-1-yl)-6-(4-fluoro-2-methylphenoxy)pyrimidine?
4-(4-benzylpiperidin-1-yl)-6-(4-fluoro-2-methylphenoxy)pyrimidine has a molecular weight of 377.46 g/mol, XLogP of 5.18, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-benzylpiperidin-1-yl)-6-(4-fluoro-2-methylphenoxy)pyrimidine is sourced from PubChem (CID 83287337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).