N-[2-methyl-4-(1,3,4-oxadiazol-2-yl)phenyl]piperidin-4-amine

C14H18N4O — CID 54906793

IUPACN-[2-methyl-4-(1,3,4-oxadiazol-2-yl)phenyl]piperidin-4-amine
SMILESCc1cc(-c2nnco2)ccc1NC1CCNCC1
InChIInChI=1S/C14H18N4O/c1-10-8-11(14-18-16-9-19-14)2-3-13(10)17-12-4-6-15-7-5-12/h2-3,8-9,12,15,17H,4-7H2,1H3
InChIKeyGSWNYOJOKJVTDR-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.21
Rot. Bonds3

About N-[2-methyl-4-(1,3,4-oxadiazol-2-yl)phenyl]piperidin-4-amine

N-[2-methyl-4-(1,3,4-oxadiazol-2-yl)phenyl]piperidin-4-amine (PubChem CID 54906793) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is N-[2-methyl-4-(1,3,4-oxadiazol-2-yl)phenyl]piperidin-4-amine.

Molecular Properties

Compound NameN-[2-methyl-4-(1,3,4-oxadiazol-2-yl)phenyl]piperidin-4-amine
PubChem CID54906793
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC NameN-[2-methyl-4-(1,3,4-oxadiazol-2-yl)phenyl]piperidin-4-amine
SMILESCc1cc(-c2nnco2)ccc1NC1CCNCC1
InChIInChI=1S/C14H18N4O/c1-10-8-11(14-18-16-9-19-14)2-3-13(10)17-12-4-6-15-7-5-12/h2-3,8-9,12,15,17H,4-7H2,1H3
InChIKeyGSWNYOJOKJVTDR-UHFFFAOYSA-N
XLogP2.21
TPSA62.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-4-(1,3,4-oxadiazol-2-yl)phenyl]piperidin-4-amine?
The IUPAC name of N-[2-methyl-4-(1,3,4-oxadiazol-2-yl)phenyl]piperidin-4-amine (CID 54906793) is N-[2-methyl-4-(1,3,4-oxadiazol-2-yl)phenyl]piperidin-4-amine.
What is the SMILES notation for N-[2-methyl-4-(1,3,4-oxadiazol-2-yl)phenyl]piperidin-4-amine?
The canonical SMILES for N-[2-methyl-4-(1,3,4-oxadiazol-2-yl)phenyl]piperidin-4-amine is Cc1cc(-c2nnco2)ccc1NC1CCNCC1.
What is the InChIKey of N-[2-methyl-4-(1,3,4-oxadiazol-2-yl)phenyl]piperidin-4-amine?
The InChIKey is GSWNYOJOKJVTDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-10-8-11(14-18-16-9-19-14)2-3-13(10)17-12-4-6-15-7-5-12/h2-3,8-9,12,15,17H,4-7H2,1H3.
What are the key properties of N-[2-methyl-4-(1,3,4-oxadiazol-2-yl)phenyl]piperidin-4-amine?
N-[2-methyl-4-(1,3,4-oxadiazol-2-yl)phenyl]piperidin-4-amine has a molecular weight of 258.32 g/mol, XLogP of 2.21, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-4-(1,3,4-oxadiazol-2-yl)phenyl]piperidin-4-amine is sourced from PubChem (CID 54906793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).