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

C18H25N3O2 — CID 60506257

IUPAC4-[1-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]phenol
SMILESCC(C)(C)c1nc(CN2CCC(c3ccc(O)cc3)CC2)no1
InChIInChI=1S/C18H25N3O2/c1-18(2,3)17-19-16(20-23-17)12-21-10-8-14(9-11-21)13-4-6-15(22)7-5-13/h4-7,14,22H,8-12H2,1-3H3
InChIKeyKBSDGGZAAPTLSB-UHFFFAOYSA-N
MW315.42 g/mol
LogP3.45
Rot. Bonds3

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

4-[1-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]phenol (PubChem CID 60506257) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is 4-[1-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]phenol.

Molecular Properties

Compound Name4-[1-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]phenol
PubChem CID60506257
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC Name4-[1-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]phenol
SMILESCC(C)(C)c1nc(CN2CCC(c3ccc(O)cc3)CC2)no1
InChIInChI=1S/C18H25N3O2/c1-18(2,3)17-19-16(20-23-17)12-21-10-8-14(9-11-21)13-4-6-15(22)7-5-13/h4-7,14,22H,8-12H2,1-3H3
InChIKeyKBSDGGZAAPTLSB-UHFFFAOYSA-N
XLogP3.45
TPSA62.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[1-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]phenol?
The IUPAC name of 4-[1-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]phenol (CID 60506257) is 4-[1-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]phenol.
What is the SMILES notation for 4-[1-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]phenol?
The canonical SMILES for 4-[1-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]phenol is CC(C)(C)c1nc(CN2CCC(c3ccc(O)cc3)CC2)no1.
What is the InChIKey of 4-[1-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]phenol?
The InChIKey is KBSDGGZAAPTLSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2/c1-18(2,3)17-19-16(20-23-17)12-21-10-8-14(9-11-21)13-4-6-15(22)7-5-13/h4-7,14,22H,8-12H2,1-3H3.
What are the key properties of 4-[1-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]phenol?
4-[1-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]phenol has a molecular weight of 315.42 g/mol, XLogP of 3.45, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]phenol is sourced from PubChem (CID 60506257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).