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

C19H25N3O2 — CID 56906361

IUPAC4-[2-[1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-2-yl]ethyl]phenol
SMILESOc1ccc(CCC2CCCCN2Cc2noc(C3CC3)n2)cc1
InChIInChI=1S/C19H25N3O2/c23-17-10-5-14(6-11-17)4-9-16-3-1-2-12-22(16)13-18-20-19(24-21-18)15-7-8-15/h5-6,10-11,15-16,23H,1-4,7-9,12-13H2
InChIKeyXMEDGPSKJBRUCB-UHFFFAOYSA-N
MW327.43 g/mol
LogP3.64
Rot. Bonds6

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

4-[2-[1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-2-yl]ethyl]phenol (PubChem CID 56906361) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is 4-[2-[1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-2-yl]ethyl]phenol.

Molecular Properties

Compound Name4-[2-[1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-2-yl]ethyl]phenol
PubChem CID56906361
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC Name4-[2-[1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-2-yl]ethyl]phenol
SMILESOc1ccc(CCC2CCCCN2Cc2noc(C3CC3)n2)cc1
InChIInChI=1S/C19H25N3O2/c23-17-10-5-14(6-11-17)4-9-16-3-1-2-12-22(16)13-18-20-19(24-21-18)15-7-8-15/h5-6,10-11,15-16,23H,1-4,7-9,12-13H2
InChIKeyXMEDGPSKJBRUCB-UHFFFAOYSA-N
XLogP3.64
TPSA62.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 53.64
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-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-2-yl]ethyl]phenol?
The IUPAC name of 4-[2-[1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-2-yl]ethyl]phenol (CID 56906361) is 4-[2-[1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-2-yl]ethyl]phenol.
What is the SMILES notation for 4-[2-[1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-2-yl]ethyl]phenol?
The canonical SMILES for 4-[2-[1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-2-yl]ethyl]phenol is Oc1ccc(CCC2CCCCN2Cc2noc(C3CC3)n2)cc1.
What is the InChIKey of 4-[2-[1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-2-yl]ethyl]phenol?
The InChIKey is XMEDGPSKJBRUCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2/c23-17-10-5-14(6-11-17)4-9-16-3-1-2-12-22(16)13-18-20-19(24-21-18)15-7-8-15/h5-6,10-11,15-16,23H,1-4,7-9,12-13H2.
What are the key properties of 4-[2-[1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-2-yl]ethyl]phenol?
4-[2-[1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-2-yl]ethyl]phenol has a molecular weight of 327.43 g/mol, XLogP of 3.64, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-2-yl]ethyl]phenol is sourced from PubChem (CID 56906361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).