5-(1-methyl-4-phenylpiperidin-4-yl)-1,3,4-oxadiazol-2-amine

C14H18N4O — CID 21300164

IUPAC5-(1-methyl-4-phenylpiperidin-4-yl)-1,3,4-oxadiazol-2-amine
SMILESCN1CCC(c2ccccc2)(c2nnc(N)o2)CC1
InChIInChI=1S/C14H18N4O/c1-18-9-7-14(8-10-18,11-5-3-2-4-6-11)12-16-17-13(15)19-12/h2-6H,7-10H2,1H3,(H2,15,17)
InChIKeyMHRQSJMDHXFEHG-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.66
Rot. Bonds2

About 5-(1-methyl-4-phenylpiperidin-4-yl)-1,3,4-oxadiazol-2-amine

5-(1-methyl-4-phenylpiperidin-4-yl)-1,3,4-oxadiazol-2-amine (PubChem CID 21300164) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is 5-(1-methyl-4-phenylpiperidin-4-yl)-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-(1-methyl-4-phenylpiperidin-4-yl)-1,3,4-oxadiazol-2-amine
PubChem CID21300164
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC Name5-(1-methyl-4-phenylpiperidin-4-yl)-1,3,4-oxadiazol-2-amine
SMILESCN1CCC(c2ccccc2)(c2nnc(N)o2)CC1
InChIInChI=1S/C14H18N4O/c1-18-9-7-14(8-10-18,11-5-3-2-4-6-11)12-16-17-13(15)19-12/h2-6H,7-10H2,1H3,(H2,15,17)
InChIKeyMHRQSJMDHXFEHG-UHFFFAOYSA-N
XLogP1.66
TPSA68.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(1-phenylcyclopropyl)-1,3,4-oxadiazol-2-amine
CID 62877248
5-(1-phenylcyclopentyl)-1,3,4-oxadiazole-2-carboxylic acid
CID 166104460
2-(4-phenyloxan-4-yl)-5-propan-2-yl-1,3,4-oxadiazole
CID 56784751
N-[[5-(1-phenylcyclopropyl)-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine
CID 62881941
1-methyl-4-(1-phenylcyclopropyl)piperazine
CID 137320313
ethene;1-methyl-4-phenylpiperidine-4-carbaldehyde
CID 143193860
3-[5-(1-phenylcyclopropyl)-1,3,4-oxadiazol-2-yl]-N-propan-2-ylpropan-1-amine
CID 62879543
1-methyl-4-phenylazepane-4-carboxamide;hydrate
CID 158339828
6-(1-phenylcyclopropyl)-1,3,5-triazine-2,4-diamine
CID 112681528
2-[4-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazol-3-yl]-1,3-dihydroisoindole
CID 59216233
[4-(5-amino-1,3,4-oxadiazol-2-yl)piperidin-1-yl]-[(1R,2S)-2-methyl-2-phenylcyclopropyl]methanone
CID 138055078
ethane;1-(1-methyl-4-phenylpiperidin-4-yl)ethanone
CID 142234694

Frequently Asked Questions

What is the IUPAC name of 5-(1-methyl-4-phenylpiperidin-4-yl)-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-(1-methyl-4-phenylpiperidin-4-yl)-1,3,4-oxadiazol-2-amine (CID 21300164) is 5-(1-methyl-4-phenylpiperidin-4-yl)-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-(1-methyl-4-phenylpiperidin-4-yl)-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-(1-methyl-4-phenylpiperidin-4-yl)-1,3,4-oxadiazol-2-amine is CN1CCC(c2ccccc2)(c2nnc(N)o2)CC1.
What is the InChIKey of 5-(1-methyl-4-phenylpiperidin-4-yl)-1,3,4-oxadiazol-2-amine?
The InChIKey is MHRQSJMDHXFEHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-18-9-7-14(8-10-18,11-5-3-2-4-6-11)12-16-17-13(15)19-12/h2-6H,7-10H2,1H3,(H2,15,17).
What are the key properties of 5-(1-methyl-4-phenylpiperidin-4-yl)-1,3,4-oxadiazol-2-amine?
5-(1-methyl-4-phenylpiperidin-4-yl)-1,3,4-oxadiazol-2-amine has a molecular weight of 258.32 g/mol, XLogP of 1.66, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-methyl-4-phenylpiperidin-4-yl)-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 21300164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).