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

C9H16ClN3O — CID 22017597

IUPAC2-methyl-5-(piperidin-4-ylmethyl)-1,3,4-oxadiazole;hydrochloride
SMILESCc1nnc(CC2CCNCC2)o1.Cl
InChIInChI=1S/C9H15N3O.ClH/c1-7-11-12-9(13-7)6-8-2-4-10-5-3-8;/h8,10H,2-6H2,1H3;1H
InChIKeyRVZZJRSJHRCUBR-UHFFFAOYSA-N
MW217.70 g/mol
LogP1.34
Rot. Bonds2

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

2-methyl-5-(piperidin-4-ylmethyl)-1,3,4-oxadiazole;hydrochloride (PubChem CID 22017597) has the molecular formula C9H16ClN3O and a molecular weight of 217.70 g/mol. Its IUPAC name is 2-methyl-5-(piperidin-4-ylmethyl)-1,3,4-oxadiazole;hydrochloride.

Molecular Properties

Compound Name2-methyl-5-(piperidin-4-ylmethyl)-1,3,4-oxadiazole;hydrochloride
PubChem CID22017597
Molecular FormulaC9H16ClN3O
Molecular Weight217.70 g/mol
Exact Mass217.10
IUPAC Name2-methyl-5-(piperidin-4-ylmethyl)-1,3,4-oxadiazole;hydrochloride
SMILESCc1nnc(CC2CCNCC2)o1.Cl
InChIInChI=1S/C9H15N3O.ClH/c1-7-11-12-9(13-7)6-8-2-4-10-5-3-8;/h8,10H,2-6H2,1H3;1H
InChIKeyRVZZJRSJHRCUBR-UHFFFAOYSA-N
XLogP1.34
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.70
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(piperidin-4-ylmethyl)-1,3,4-oxadiazole;hydrochloride?
The IUPAC name of 2-methyl-5-(piperidin-4-ylmethyl)-1,3,4-oxadiazole;hydrochloride (CID 22017597) is 2-methyl-5-(piperidin-4-ylmethyl)-1,3,4-oxadiazole;hydrochloride.
What is the SMILES notation for 2-methyl-5-(piperidin-4-ylmethyl)-1,3,4-oxadiazole;hydrochloride?
The canonical SMILES for 2-methyl-5-(piperidin-4-ylmethyl)-1,3,4-oxadiazole;hydrochloride is Cc1nnc(CC2CCNCC2)o1.Cl.
What is the InChIKey of 2-methyl-5-(piperidin-4-ylmethyl)-1,3,4-oxadiazole;hydrochloride?
The InChIKey is RVZZJRSJHRCUBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O.ClH/c1-7-11-12-9(13-7)6-8-2-4-10-5-3-8;/h8,10H,2-6H2,1H3;1H.
What are the key properties of 2-methyl-5-(piperidin-4-ylmethyl)-1,3,4-oxadiazole;hydrochloride?
2-methyl-5-(piperidin-4-ylmethyl)-1,3,4-oxadiazole;hydrochloride has a molecular weight of 217.70 g/mol, XLogP of 1.34, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(piperidin-4-ylmethyl)-1,3,4-oxadiazole;hydrochloride is sourced from PubChem (CID 22017597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).