1-[2-[[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methylamino]phenyl]piperidin-4-ol

C22H26N4O2 — CID 47064274

IUPAC1-[2-[[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methylamino]phenyl]piperidin-4-ol
SMILESCCc1ccc(-c2noc(CNc3ccccc3N3CCC(O)CC3)n2)cc1
InChIInChI=1S/C22H26N4O2/c1-2-16-7-9-17(10-8-16)22-24-21(28-25-22)15-23-19-5-3-4-6-20(19)26-13-11-18(27)12-14-26/h3-10,18,23,27H,2,11-15H2,1H3
InChIKeyOTCCNRWFDFJSQV-UHFFFAOYSA-N
MW378.48 g/mol
LogP3.87
Rot. Bonds6

About 1-[2-[[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methylamino]phenyl]piperidin-4-ol

1-[2-[[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methylamino]phenyl]piperidin-4-ol (PubChem CID 47064274) has the molecular formula C22H26N4O2 and a molecular weight of 378.48 g/mol. Its IUPAC name is 1-[2-[[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methylamino]phenyl]piperidin-4-ol.

Molecular Properties

Compound Name1-[2-[[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methylamino]phenyl]piperidin-4-ol
PubChem CID47064274
Molecular FormulaC22H26N4O2
Molecular Weight378.48 g/mol
Exact Mass378.21
IUPAC Name1-[2-[[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methylamino]phenyl]piperidin-4-ol
SMILESCCc1ccc(-c2noc(CNc3ccccc3N3CCC(O)CC3)n2)cc1
InChIInChI=1S/C22H26N4O2/c1-2-16-7-9-17(10-8-16)22-24-21(28-25-22)15-23-19-5-3-4-6-20(19)26-13-11-18(27)12-14-26/h3-10,18,23,27H,2,11-15H2,1H3
InChIKeyOTCCNRWFDFJSQV-UHFFFAOYSA-N
XLogP3.87
TPSA74.42 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methylamino]phenyl]piperidin-4-ol?
The IUPAC name of 1-[2-[[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methylamino]phenyl]piperidin-4-ol (CID 47064274) is 1-[2-[[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methylamino]phenyl]piperidin-4-ol.
What is the SMILES notation for 1-[2-[[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methylamino]phenyl]piperidin-4-ol?
The canonical SMILES for 1-[2-[[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methylamino]phenyl]piperidin-4-ol is CCc1ccc(-c2noc(CNc3ccccc3N3CCC(O)CC3)n2)cc1.
What is the InChIKey of 1-[2-[[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methylamino]phenyl]piperidin-4-ol?
The InChIKey is OTCCNRWFDFJSQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O2/c1-2-16-7-9-17(10-8-16)22-24-21(28-25-22)15-23-19-5-3-4-6-20(19)26-13-11-18(27)12-14-26/h3-10,18,23,27H,2,11-15H2,1H3.
What are the key properties of 1-[2-[[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methylamino]phenyl]piperidin-4-ol?
1-[2-[[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methylamino]phenyl]piperidin-4-ol has a molecular weight of 378.48 g/mol, XLogP of 3.87, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methylamino]phenyl]piperidin-4-ol is sourced from PubChem (CID 47064274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).