[3-(2-piperidin-1-ylphenyl)-1,2,4-oxadiazol-5-yl]methanamine

C14H18N4O — CID 117399628

IUPAC[3-(2-piperidin-1-ylphenyl)-1,2,4-oxadiazol-5-yl]methanamine
SMILESNCc1nc(-c2ccccc2N2CCCCC2)no1
InChIInChI=1S/C14H18N4O/c15-10-13-16-14(17-19-13)11-6-2-3-7-12(11)18-8-4-1-5-9-18/h2-3,6-7H,1,4-5,8-10,15H2
InChIKeyQDHFGJQWDMHTSQ-UHFFFAOYSA-N
MW258.33 g/mol
LogP2.19
Rot. Bonds3

About [3-(2-piperidin-1-ylphenyl)-1,2,4-oxadiazol-5-yl]methanamine

[3-(2-piperidin-1-ylphenyl)-1,2,4-oxadiazol-5-yl]methanamine (PubChem CID 117399628) has the molecular formula C14H18N4O and a molecular weight of 258.33 g/mol. Its IUPAC name is [3-(2-piperidin-1-ylphenyl)-1,2,4-oxadiazol-5-yl]methanamine.

Molecular Properties

Compound Name[3-(2-piperidin-1-ylphenyl)-1,2,4-oxadiazol-5-yl]methanamine
PubChem CID117399628
Molecular FormulaC14H18N4O
Molecular Weight258.33 g/mol
Exact Mass258.15
IUPAC Name[3-(2-piperidin-1-ylphenyl)-1,2,4-oxadiazol-5-yl]methanamine
SMILESNCc1nc(-c2ccccc2N2CCCCC2)no1
InChIInChI=1S/C14H18N4O/c15-10-13-16-14(17-19-13)11-6-2-3-7-12(11)18-8-4-1-5-9-18/h2-3,6-7H,1,4-5,8-10,15H2
InChIKeyQDHFGJQWDMHTSQ-UHFFFAOYSA-N
XLogP2.19
TPSA68.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.33
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[3-[2-(4-methylpiperazin-1-yl)phenyl]-1,2,4-oxadiazol-5-yl]methanamine
CID 117436157
[4-[5-(2-piperidin-1-ylphenyl)-1,2,4-oxadiazol-3-yl]phenyl]methanamine
CID 120892509
[3-(2-imidazol-1-ylphenyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 117354726
[3-[[methyl-[(2-pyrrolidin-1-ylphenyl)methyl]amino]methyl]-1,2,4-oxadiazol-5-yl]methanamine
CID 120752565
(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)methanamine;hydrochloride
CID 121237656
[3-[2-[(4-methylpiperazin-1-yl)methyl]phenyl]-1,2,4-oxadiazol-5-yl]methanamine
CID 117463936
[3-(azepan-1-yl)-1,2,4-oxadiazol-5-yl]methanamine
CID 83618709
[3-(2,3-dihydro-1-benzofuran-4-yl)-1,2,4-oxadiazol-5-yl]methanamine
CID 117309097
1-[2-[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]phenyl]cyclopropan-1-ol
CID 115112692
3-(2-piperidin-1-ylphenyl)-1,2-oxazol-5-amine
CID 117360434
[3-[2-(2-fluoropropan-2-yl)phenyl]-1,2,4-oxadiazol-5-yl]methanamine
CID 117342084
[3-[2-(1H-imidazol-2-yl)phenyl]-1,2,4-oxadiazol-5-yl]methanamine
CID 117354721

Frequently Asked Questions

What is the IUPAC name of [3-(2-piperidin-1-ylphenyl)-1,2,4-oxadiazol-5-yl]methanamine?
The IUPAC name of [3-(2-piperidin-1-ylphenyl)-1,2,4-oxadiazol-5-yl]methanamine (CID 117399628) is [3-(2-piperidin-1-ylphenyl)-1,2,4-oxadiazol-5-yl]methanamine.
What is the SMILES notation for [3-(2-piperidin-1-ylphenyl)-1,2,4-oxadiazol-5-yl]methanamine?
The canonical SMILES for [3-(2-piperidin-1-ylphenyl)-1,2,4-oxadiazol-5-yl]methanamine is NCc1nc(-c2ccccc2N2CCCCC2)no1.
What is the InChIKey of [3-(2-piperidin-1-ylphenyl)-1,2,4-oxadiazol-5-yl]methanamine?
The InChIKey is QDHFGJQWDMHTSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c15-10-13-16-14(17-19-13)11-6-2-3-7-12(11)18-8-4-1-5-9-18/h2-3,6-7H,1,4-5,8-10,15H2.
What are the key properties of [3-(2-piperidin-1-ylphenyl)-1,2,4-oxadiazol-5-yl]methanamine?
[3-(2-piperidin-1-ylphenyl)-1,2,4-oxadiazol-5-yl]methanamine has a molecular weight of 258.33 g/mol, XLogP of 2.19, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-piperidin-1-ylphenyl)-1,2,4-oxadiazol-5-yl]methanamine is sourced from PubChem (CID 117399628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).