5-[(4-methylpiperidin-1-yl)methyl]-3-phenyl-1,2,4-oxadiazole;hydrochloride

C15H20ClN3O — CID 6461235

IUPAC5-[(4-methylpiperidin-1-yl)methyl]-3-phenyl-1,2,4-oxadiazole;hydrochloride
SMILESCC1CCN(Cc2nc(-c3ccccc3)no2)CC1.Cl
InChIInChI=1S/C15H19N3O.ClH/c1-12-7-9-18(10-8-12)11-14-16-15(17-19-14)13-5-3-2-4-6-13;/h2-6,12H,7-11H2,1H3;1H
InChIKeyFTRJXSKFJIBENA-UHFFFAOYSA-N
MW293.80 g/mol
LogP3.39
Rot. Bonds3

About 5-[(4-methylpiperidin-1-yl)methyl]-3-phenyl-1,2,4-oxadiazole;hydrochloride

5-[(4-methylpiperidin-1-yl)methyl]-3-phenyl-1,2,4-oxadiazole;hydrochloride (PubChem CID 6461235) has the molecular formula C15H20ClN3O and a molecular weight of 293.80 g/mol. Its IUPAC name is 5-[(4-methylpiperidin-1-yl)methyl]-3-phenyl-1,2,4-oxadiazole;hydrochloride.

Molecular Properties

Compound Name5-[(4-methylpiperidin-1-yl)methyl]-3-phenyl-1,2,4-oxadiazole;hydrochloride
PubChem CID6461235
Molecular FormulaC15H20ClN3O
Molecular Weight293.80 g/mol
Exact Mass293.13
IUPAC Name5-[(4-methylpiperidin-1-yl)methyl]-3-phenyl-1,2,4-oxadiazole;hydrochloride
SMILESCC1CCN(Cc2nc(-c3ccccc3)no2)CC1.Cl
InChIInChI=1S/C15H19N3O.ClH/c1-12-7-9-18(10-8-12)11-14-16-15(17-19-14)13-5-3-2-4-6-13;/h2-6,12H,7-11H2,1H3;1H
InChIKeyFTRJXSKFJIBENA-UHFFFAOYSA-N
XLogP3.39
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.80
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Oxolamine
CID 13738
Phenylmethyloxadiazole
CID 98806
Sodium perchlorate hydrate
CID 270750
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CID 6486002
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CID 2231342
1-{[3-(4-Chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl}piperidine
CID 327070
4-{[3-(4-Chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl}morpholine
CID 329188
1-{[3-(4-Chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl}-4-methylpiperidine
CID 2803673
2-(Benzyl{[3-(cyclopropylmethyl)-1,2,4-oxadiazol-5-yl]methyl}amino)ethanol
CID 16187225
(4-Fluorobenzyl)methyl{[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]methyl}amine
CID 16189803
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CID 16189892

Frequently Asked Questions

What is the IUPAC name of 5-[(4-methylpiperidin-1-yl)methyl]-3-phenyl-1,2,4-oxadiazole;hydrochloride?
The IUPAC name of 5-[(4-methylpiperidin-1-yl)methyl]-3-phenyl-1,2,4-oxadiazole;hydrochloride (CID 6461235) is 5-[(4-methylpiperidin-1-yl)methyl]-3-phenyl-1,2,4-oxadiazole;hydrochloride.
What is the SMILES notation for 5-[(4-methylpiperidin-1-yl)methyl]-3-phenyl-1,2,4-oxadiazole;hydrochloride?
The canonical SMILES for 5-[(4-methylpiperidin-1-yl)methyl]-3-phenyl-1,2,4-oxadiazole;hydrochloride is CC1CCN(Cc2nc(-c3ccccc3)no2)CC1.Cl.
What is the InChIKey of 5-[(4-methylpiperidin-1-yl)methyl]-3-phenyl-1,2,4-oxadiazole;hydrochloride?
The InChIKey is FTRJXSKFJIBENA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O.ClH/c1-12-7-9-18(10-8-12)11-14-16-15(17-19-14)13-5-3-2-4-6-13;/h2-6,12H,7-11H2,1H3;1H.
What are the key properties of 5-[(4-methylpiperidin-1-yl)methyl]-3-phenyl-1,2,4-oxadiazole;hydrochloride?
5-[(4-methylpiperidin-1-yl)methyl]-3-phenyl-1,2,4-oxadiazole;hydrochloride has a molecular weight of 293.80 g/mol, XLogP of 3.39, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-methylpiperidin-1-yl)methyl]-3-phenyl-1,2,4-oxadiazole;hydrochloride is sourced from PubChem (CID 6461235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).