2-phenyl-5-(piperidin-1-ylmethyl)-1,3,4-oxadiazole;hydrochloride

C14H18ClN3O — CID 18775228

IUPAC2-phenyl-5-(piperidin-1-ylmethyl)-1,3,4-oxadiazole;hydrochloride
SMILESCl.c1ccc(-c2nnc(CN3CCCCC3)o2)cc1
InChIInChI=1S/C14H17N3O.ClH/c1-3-7-12(8-4-1)14-16-15-13(18-14)11-17-9-5-2-6-10-17;/h1,3-4,7-8H,2,5-6,9-11H2;1H
InChIKeyWFHRCVMEYOOBGA-UHFFFAOYSA-N
MW279.77 g/mol
LogP3.14
Rot. Bonds3

About 2-phenyl-5-(piperidin-1-ylmethyl)-1,3,4-oxadiazole;hydrochloride

2-phenyl-5-(piperidin-1-ylmethyl)-1,3,4-oxadiazole;hydrochloride (PubChem CID 18775228) has the molecular formula C14H18ClN3O and a molecular weight of 279.77 g/mol. Its IUPAC name is 2-phenyl-5-(piperidin-1-ylmethyl)-1,3,4-oxadiazole;hydrochloride.

Molecular Properties

Compound Name2-phenyl-5-(piperidin-1-ylmethyl)-1,3,4-oxadiazole;hydrochloride
PubChem CID18775228
Molecular FormulaC14H18ClN3O
Molecular Weight279.77 g/mol
Exact Mass279.11
IUPAC Name2-phenyl-5-(piperidin-1-ylmethyl)-1,3,4-oxadiazole;hydrochloride
SMILESCl.c1ccc(-c2nnc(CN3CCCCC3)o2)cc1
InChIInChI=1S/C14H17N3O.ClH/c1-3-7-12(8-4-1)14-16-15-13(18-14)11-17-9-5-2-6-10-17;/h1,3-4,7-8H,2,5-6,9-11H2;1H
InChIKeyWFHRCVMEYOOBGA-UHFFFAOYSA-N
XLogP3.14
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.77
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-5-(piperidin-1-ylmethyl)-1,3,4-oxadiazole;hydrochloride?
The IUPAC name of 2-phenyl-5-(piperidin-1-ylmethyl)-1,3,4-oxadiazole;hydrochloride (CID 18775228) is 2-phenyl-5-(piperidin-1-ylmethyl)-1,3,4-oxadiazole;hydrochloride.
What is the SMILES notation for 2-phenyl-5-(piperidin-1-ylmethyl)-1,3,4-oxadiazole;hydrochloride?
The canonical SMILES for 2-phenyl-5-(piperidin-1-ylmethyl)-1,3,4-oxadiazole;hydrochloride is Cl.c1ccc(-c2nnc(CN3CCCCC3)o2)cc1.
What is the InChIKey of 2-phenyl-5-(piperidin-1-ylmethyl)-1,3,4-oxadiazole;hydrochloride?
The InChIKey is WFHRCVMEYOOBGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O.ClH/c1-3-7-12(8-4-1)14-16-15-13(18-14)11-17-9-5-2-6-10-17;/h1,3-4,7-8H,2,5-6,9-11H2;1H.
What are the key properties of 2-phenyl-5-(piperidin-1-ylmethyl)-1,3,4-oxadiazole;hydrochloride?
2-phenyl-5-(piperidin-1-ylmethyl)-1,3,4-oxadiazole;hydrochloride has a molecular weight of 279.77 g/mol, XLogP of 3.14, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-5-(piperidin-1-ylmethyl)-1,3,4-oxadiazole;hydrochloride is sourced from PubChem (CID 18775228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).