4-[3-[(1,4-dimethylpiperazin-2-yl)methyl]-1,2,4-oxadiazol-5-yl]piperidin-4-ol

C14H25N5O2 — CID 106950378

IUPAC4-[3-[(1,4-dimethylpiperazin-2-yl)methyl]-1,2,4-oxadiazol-5-yl]piperidin-4-ol
SMILESCN1CCN(C)C(Cc2noc(C3(O)CCNCC3)n2)C1
InChIInChI=1S/C14H25N5O2/c1-18-7-8-19(2)11(10-18)9-12-16-13(21-17-12)14(20)3-5-15-6-4-14/h11,15,20H,3-10H2,1-2H3
InChIKeyJQJWTORNCQWLAE-UHFFFAOYSA-N
MW295.39 g/mol
LogP-0.57
Rot. Bonds3

About 4-[3-[(1,4-dimethylpiperazin-2-yl)methyl]-1,2,4-oxadiazol-5-yl]piperidin-4-ol

4-[3-[(1,4-dimethylpiperazin-2-yl)methyl]-1,2,4-oxadiazol-5-yl]piperidin-4-ol (PubChem CID 106950378) has the molecular formula C14H25N5O2 and a molecular weight of 295.39 g/mol. Its IUPAC name is 4-[3-[(1,4-dimethylpiperazin-2-yl)methyl]-1,2,4-oxadiazol-5-yl]piperidin-4-ol.

Molecular Properties

Compound Name4-[3-[(1,4-dimethylpiperazin-2-yl)methyl]-1,2,4-oxadiazol-5-yl]piperidin-4-ol
PubChem CID106950378
Molecular FormulaC14H25N5O2
Molecular Weight295.39 g/mol
Exact Mass295.20
IUPAC Name4-[3-[(1,4-dimethylpiperazin-2-yl)methyl]-1,2,4-oxadiazol-5-yl]piperidin-4-ol
SMILESCN1CCN(C)C(Cc2noc(C3(O)CCNCC3)n2)C1
InChIInChI=1S/C14H25N5O2/c1-18-7-8-19(2)11(10-18)9-12-16-13(21-17-12)14(20)3-5-15-6-4-14/h11,15,20H,3-10H2,1-2H3
InChIKeyJQJWTORNCQWLAE-UHFFFAOYSA-N
XLogP-0.57
TPSA77.66 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 5-0.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[3-[(1,4-dimethylpiperazin-2-yl)methyl]-1,2,4-oxadiazol-5-yl]piperidin-4-ol?
The IUPAC name of 4-[3-[(1,4-dimethylpiperazin-2-yl)methyl]-1,2,4-oxadiazol-5-yl]piperidin-4-ol (CID 106950378) is 4-[3-[(1,4-dimethylpiperazin-2-yl)methyl]-1,2,4-oxadiazol-5-yl]piperidin-4-ol.
What is the SMILES notation for 4-[3-[(1,4-dimethylpiperazin-2-yl)methyl]-1,2,4-oxadiazol-5-yl]piperidin-4-ol?
The canonical SMILES for 4-[3-[(1,4-dimethylpiperazin-2-yl)methyl]-1,2,4-oxadiazol-5-yl]piperidin-4-ol is CN1CCN(C)C(Cc2noc(C3(O)CCNCC3)n2)C1.
What is the InChIKey of 4-[3-[(1,4-dimethylpiperazin-2-yl)methyl]-1,2,4-oxadiazol-5-yl]piperidin-4-ol?
The InChIKey is JQJWTORNCQWLAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5O2/c1-18-7-8-19(2)11(10-18)9-12-16-13(21-17-12)14(20)3-5-15-6-4-14/h11,15,20H,3-10H2,1-2H3.
What are the key properties of 4-[3-[(1,4-dimethylpiperazin-2-yl)methyl]-1,2,4-oxadiazol-5-yl]piperidin-4-ol?
4-[3-[(1,4-dimethylpiperazin-2-yl)methyl]-1,2,4-oxadiazol-5-yl]piperidin-4-ol has a molecular weight of 295.39 g/mol, XLogP of -0.57, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[(1,4-dimethylpiperazin-2-yl)methyl]-1,2,4-oxadiazol-5-yl]piperidin-4-ol is sourced from PubChem (CID 106950378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).