4-[2-[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-2-yl]ethyl]phenol

C17H23N3O2 — CID 56907257

IUPAC4-[2-[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-2-yl]ethyl]phenol
SMILESCc1nc(CN2CCCCC2CCc2ccc(O)cc2)no1
InChIInChI=1S/C17H23N3O2/c1-13-18-17(19-22-13)12-20-11-3-2-4-15(20)8-5-14-6-9-16(21)10-7-14/h6-7,9-10,15,21H,2-5,8,11-12H2,1H3
InChIKeyLGQBRSWOVWSCRU-UHFFFAOYSA-N
MW301.39 g/mol
LogP3.07
Rot. Bonds5

About 4-[2-[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-2-yl]ethyl]phenol

4-[2-[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-2-yl]ethyl]phenol (PubChem CID 56907257) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is 4-[2-[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-2-yl]ethyl]phenol.

Molecular Properties

Compound Name4-[2-[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-2-yl]ethyl]phenol
PubChem CID56907257
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC Name4-[2-[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-2-yl]ethyl]phenol
SMILESCc1nc(CN2CCCCC2CCc2ccc(O)cc2)no1
InChIInChI=1S/C17H23N3O2/c1-13-18-17(19-22-13)12-20-11-3-2-4-15(20)8-5-14-6-9-16(21)10-7-14/h6-7,9-10,15,21H,2-5,8,11-12H2,1H3
InChIKeyLGQBRSWOVWSCRU-UHFFFAOYSA-N
XLogP3.07
TPSA62.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-2-yl]ethyl]phenol?
The IUPAC name of 4-[2-[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-2-yl]ethyl]phenol (CID 56907257) is 4-[2-[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-2-yl]ethyl]phenol.
What is the SMILES notation for 4-[2-[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-2-yl]ethyl]phenol?
The canonical SMILES for 4-[2-[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-2-yl]ethyl]phenol is Cc1nc(CN2CCCCC2CCc2ccc(O)cc2)no1.
What is the InChIKey of 4-[2-[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-2-yl]ethyl]phenol?
The InChIKey is LGQBRSWOVWSCRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2/c1-13-18-17(19-22-13)12-20-11-3-2-4-15(20)8-5-14-6-9-16(21)10-7-14/h6-7,9-10,15,21H,2-5,8,11-12H2,1H3.
What are the key properties of 4-[2-[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-2-yl]ethyl]phenol?
4-[2-[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-2-yl]ethyl]phenol has a molecular weight of 301.39 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-2-yl]ethyl]phenol is sourced from PubChem (CID 56907257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).