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

C11H20N4O2 — CID 106959475

IUPAC1-[5-(propylaminomethyl)-1,3,4-oxadiazol-2-yl]piperidin-3-ol
SMILESCCCNCc1nnc(N2CCCC(O)C2)o1
InChIInChI=1S/C11H20N4O2/c1-2-5-12-7-10-13-14-11(17-10)15-6-3-4-9(16)8-15/h9,12,16H,2-8H2,1H3
InChIKeyQBNIHARFZGMESA-UHFFFAOYSA-N
MW240.31 g/mol
LogP0.53
Rot. Bonds5

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

1-[5-(propylaminomethyl)-1,3,4-oxadiazol-2-yl]piperidin-3-ol (PubChem CID 106959475) has the molecular formula C11H20N4O2 and a molecular weight of 240.31 g/mol. Its IUPAC name is 1-[5-(propylaminomethyl)-1,3,4-oxadiazol-2-yl]piperidin-3-ol.

Molecular Properties

Compound Name1-[5-(propylaminomethyl)-1,3,4-oxadiazol-2-yl]piperidin-3-ol
PubChem CID106959475
Molecular FormulaC11H20N4O2
Molecular Weight240.31 g/mol
Exact Mass240.16
IUPAC Name1-[5-(propylaminomethyl)-1,3,4-oxadiazol-2-yl]piperidin-3-ol
SMILESCCCNCc1nnc(N2CCCC(O)C2)o1
InChIInChI=1S/C11H20N4O2/c1-2-5-12-7-10-13-14-11(17-10)15-6-3-4-9(16)8-15/h9,12,16H,2-8H2,1H3
InChIKeyQBNIHARFZGMESA-UHFFFAOYSA-N
XLogP0.53
TPSA74.42 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-yl]piperidin-3-ol
CID 106959478
1-[5-(ethylaminomethyl)-1,3,4-oxadiazol-2-yl]pyrrolidin-3-ol
CID 106960694
1-[5-[(tert-butylamino)methyl]-1,3,4-oxadiazol-2-yl]piperidin-3-ol
CID 106959479
N-[[5-(2-methyl-1,4-oxazepan-4-yl)-1,3,4-oxadiazol-2-yl]methyl]propan-1-amine
CID 106961117
N-[[5-(3-methoxypyrrolidin-1-yl)-1,3,4-oxadiazol-2-yl]methyl]propan-1-amine
CID 106967372
N-[[5-(4-propan-2-ylpiperidin-1-yl)-1,3,4-oxadiazol-2-yl]methyl]propan-1-amine
CID 106967348
2-[5-(propylaminomethyl)-1,3,4-oxadiazol-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol
CID 106964218
N-[[5-(3-phenylpyrrolidin-1-yl)-1,3,4-oxadiazol-2-yl]methyl]propan-1-amine
CID 106960239
4-methyl-1-[5-(propylaminomethyl)-1,3,4-oxadiazol-2-yl]azepan-4-ol
CID 107409289
N-[[5-(2-methyl-1,4-oxazepan-4-yl)-1,3,4-oxadiazol-2-yl]methyl]ethanamine
CID 106961124
1-[5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-yl]-N-methylpiperidine-3-carboxamide
CID 106965710
N-[[5-(2-methylpyrrolidin-1-yl)-1,3,4-oxadiazol-2-yl]methyl]ethanamine
CID 106969669

Frequently Asked Questions

What is the IUPAC name of 1-[5-(propylaminomethyl)-1,3,4-oxadiazol-2-yl]piperidin-3-ol?
The IUPAC name of 1-[5-(propylaminomethyl)-1,3,4-oxadiazol-2-yl]piperidin-3-ol (CID 106959475) is 1-[5-(propylaminomethyl)-1,3,4-oxadiazol-2-yl]piperidin-3-ol.
What is the SMILES notation for 1-[5-(propylaminomethyl)-1,3,4-oxadiazol-2-yl]piperidin-3-ol?
The canonical SMILES for 1-[5-(propylaminomethyl)-1,3,4-oxadiazol-2-yl]piperidin-3-ol is CCCNCc1nnc(N2CCCC(O)C2)o1.
What is the InChIKey of 1-[5-(propylaminomethyl)-1,3,4-oxadiazol-2-yl]piperidin-3-ol?
The InChIKey is QBNIHARFZGMESA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O2/c1-2-5-12-7-10-13-14-11(17-10)15-6-3-4-9(16)8-15/h9,12,16H,2-8H2,1H3.
What are the key properties of 1-[5-(propylaminomethyl)-1,3,4-oxadiazol-2-yl]piperidin-3-ol?
1-[5-(propylaminomethyl)-1,3,4-oxadiazol-2-yl]piperidin-3-ol has a molecular weight of 240.31 g/mol, XLogP of 0.53, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(propylaminomethyl)-1,3,4-oxadiazol-2-yl]piperidin-3-ol is sourced from PubChem (CID 106959475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).