1,2,5-trimethyl-N-[4-(1,3,4-oxadiazol-2-yl)phenyl]piperidin-4-amine

C16H22N4O — CID 43665527

IUPAC1,2,5-trimethyl-N-[4-(1,3,4-oxadiazol-2-yl)phenyl]piperidin-4-amine
SMILESCC1CN(C)C(C)CC1Nc1ccc(-c2nnco2)cc1
InChIInChI=1S/C16H22N4O/c1-11-9-20(3)12(2)8-15(11)18-14-6-4-13(5-7-14)16-19-17-10-21-16/h4-7,10-12,15,18H,8-9H2,1-3H3
InChIKeyYEVHFPGJFFPYBN-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.88
Rot. Bonds3

About 1,2,5-trimethyl-N-[4-(1,3,4-oxadiazol-2-yl)phenyl]piperidin-4-amine

1,2,5-trimethyl-N-[4-(1,3,4-oxadiazol-2-yl)phenyl]piperidin-4-amine (PubChem CID 43665527) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is 1,2,5-trimethyl-N-[4-(1,3,4-oxadiazol-2-yl)phenyl]piperidin-4-amine.

Molecular Properties

Compound Name1,2,5-trimethyl-N-[4-(1,3,4-oxadiazol-2-yl)phenyl]piperidin-4-amine
PubChem CID43665527
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC Name1,2,5-trimethyl-N-[4-(1,3,4-oxadiazol-2-yl)phenyl]piperidin-4-amine
SMILESCC1CN(C)C(C)CC1Nc1ccc(-c2nnco2)cc1
InChIInChI=1S/C16H22N4O/c1-11-9-20(3)12(2)8-15(11)18-14-6-4-13(5-7-14)16-19-17-10-21-16/h4-7,10-12,15,18H,8-9H2,1-3H3
InChIKeyYEVHFPGJFFPYBN-UHFFFAOYSA-N
XLogP2.88
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,2,5-trimethyl-N-[4-(1,3,4-oxadiazol-2-yl)phenyl]piperidin-4-amine?
The IUPAC name of 1,2,5-trimethyl-N-[4-(1,3,4-oxadiazol-2-yl)phenyl]piperidin-4-amine (CID 43665527) is 1,2,5-trimethyl-N-[4-(1,3,4-oxadiazol-2-yl)phenyl]piperidin-4-amine.
What is the SMILES notation for 1,2,5-trimethyl-N-[4-(1,3,4-oxadiazol-2-yl)phenyl]piperidin-4-amine?
The canonical SMILES for 1,2,5-trimethyl-N-[4-(1,3,4-oxadiazol-2-yl)phenyl]piperidin-4-amine is CC1CN(C)C(C)CC1Nc1ccc(-c2nnco2)cc1.
What is the InChIKey of 1,2,5-trimethyl-N-[4-(1,3,4-oxadiazol-2-yl)phenyl]piperidin-4-amine?
The InChIKey is YEVHFPGJFFPYBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-11-9-20(3)12(2)8-15(11)18-14-6-4-13(5-7-14)16-19-17-10-21-16/h4-7,10-12,15,18H,8-9H2,1-3H3.
What are the key properties of 1,2,5-trimethyl-N-[4-(1,3,4-oxadiazol-2-yl)phenyl]piperidin-4-amine?
1,2,5-trimethyl-N-[4-(1,3,4-oxadiazol-2-yl)phenyl]piperidin-4-amine has a molecular weight of 286.38 g/mol, XLogP of 2.88, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,5-trimethyl-N-[4-(1,3,4-oxadiazol-2-yl)phenyl]piperidin-4-amine is sourced from PubChem (CID 43665527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).