5-ethyl-2-[4-[3-(4-methylphenyl)phenoxy]piperidin-1-yl]pyrimidine

C24H27N3O — CID 90810331

IUPAC5-ethyl-2-[4-[3-(4-methylphenyl)phenoxy]piperidin-1-yl]pyrimidine
SMILESCCc1cnc(N2CCC(Oc3cccc(-c4ccc(C)cc4)c3)CC2)nc1
InChIInChI=1S/C24H27N3O/c1-3-19-16-25-24(26-17-19)27-13-11-22(12-14-27)28-23-6-4-5-21(15-23)20-9-7-18(2)8-10-20/h4-10,15-17,22H,3,11-14H2,1-2H3
InChIKeySKHLODDQEUQDDX-UHFFFAOYSA-N
MW373.50 g/mol
LogP5.06
Rot. Bonds5

About 5-ethyl-2-[4-[3-(4-methylphenyl)phenoxy]piperidin-1-yl]pyrimidine

5-ethyl-2-[4-[3-(4-methylphenyl)phenoxy]piperidin-1-yl]pyrimidine (PubChem CID 90810331) has the molecular formula C24H27N3O and a molecular weight of 373.50 g/mol. Its IUPAC name is 5-ethyl-2-[4-[3-(4-methylphenyl)phenoxy]piperidin-1-yl]pyrimidine.

Molecular Properties

Compound Name5-ethyl-2-[4-[3-(4-methylphenyl)phenoxy]piperidin-1-yl]pyrimidine
PubChem CID90810331
Molecular FormulaC24H27N3O
Molecular Weight373.50 g/mol
Exact Mass373.22
IUPAC Name5-ethyl-2-[4-[3-(4-methylphenyl)phenoxy]piperidin-1-yl]pyrimidine
SMILESCCc1cnc(N2CCC(Oc3cccc(-c4ccc(C)cc4)c3)CC2)nc1
InChIInChI=1S/C24H27N3O/c1-3-19-16-25-24(26-17-19)27-13-11-22(12-14-27)28-23-6-4-5-21(15-23)20-9-7-18(2)8-10-20/h4-10,15-17,22H,3,11-14H2,1-2H3
InChIKeySKHLODDQEUQDDX-UHFFFAOYSA-N
XLogP5.06
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.50
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[4-(2,6-dimethyl-3-pyridinyl)phenoxy]piperidin-1-yl]-5-ethylpyrimidine
CID 91395356
5-ethyl-2-[4-[4-(2-fluoro-4-methylsulfonylphenyl)phenoxy]piperidin-1-yl]pyrimidine
CID 46200061
2-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]oxy-5-ethylpyrimidine
CID 138988924
3-[[4-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]oxy-2-sulfanylidene-1-pyridinyl]methyl]benzonitrile
CID 56639677
2-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]oxy-6-methylpyrazine
CID 171700905
2-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]oxy-6-(4-methylsulfonylphenyl)-1,3-benzothiazole
CID 54596967
5-ethyl-2-[4-[4-[(4-methylsulfinylpiperazin-1-yl)methyl]phenoxy]piperidin-1-yl]pyrimidine
CID 66874331
N-[[4-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]oxyphenyl]methyl]-N,2,6-trimethylpyridin-3-amine
CID 91198410
4-[[5-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]oxy-2-pyridinyl]methyl]-N-methylpiperazin-1-amine
CID 143877131
2-[4-[4-[4-(methoxymethyl)phenyl]phenoxy]piperidin-1-yl]pyrimidine
CID 24732938
5-[[4-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]oxyphenyl]methyl]-1,3,2-dioxathiane 2,2-dioxide
CID 87429369
4-(3-ethylphenoxy)-1-(4-methylphenyl)sulfonylpiperidine
CID 110420727

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-[4-[3-(4-methylphenyl)phenoxy]piperidin-1-yl]pyrimidine?
The IUPAC name of 5-ethyl-2-[4-[3-(4-methylphenyl)phenoxy]piperidin-1-yl]pyrimidine (CID 90810331) is 5-ethyl-2-[4-[3-(4-methylphenyl)phenoxy]piperidin-1-yl]pyrimidine.
What is the SMILES notation for 5-ethyl-2-[4-[3-(4-methylphenyl)phenoxy]piperidin-1-yl]pyrimidine?
The canonical SMILES for 5-ethyl-2-[4-[3-(4-methylphenyl)phenoxy]piperidin-1-yl]pyrimidine is CCc1cnc(N2CCC(Oc3cccc(-c4ccc(C)cc4)c3)CC2)nc1.
What is the InChIKey of 5-ethyl-2-[4-[3-(4-methylphenyl)phenoxy]piperidin-1-yl]pyrimidine?
The InChIKey is SKHLODDQEUQDDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O/c1-3-19-16-25-24(26-17-19)27-13-11-22(12-14-27)28-23-6-4-5-21(15-23)20-9-7-18(2)8-10-20/h4-10,15-17,22H,3,11-14H2,1-2H3.
What are the key properties of 5-ethyl-2-[4-[3-(4-methylphenyl)phenoxy]piperidin-1-yl]pyrimidine?
5-ethyl-2-[4-[3-(4-methylphenyl)phenoxy]piperidin-1-yl]pyrimidine has a molecular weight of 373.50 g/mol, XLogP of 5.06, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-[4-[3-(4-methylphenyl)phenoxy]piperidin-1-yl]pyrimidine is sourced from PubChem (CID 90810331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).