N-[2-[[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]methyl]phenyl]-N,1-dimethylpiperidin-4-amine

C20H30N4O — CID 84586587

IUPACN-[2-[[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]methyl]phenyl]-N,1-dimethylpiperidin-4-amine
SMILESCc1noc(C)c1CNCc1ccccc1N(C)C1CCN(C)CC1
InChIInChI=1S/C20H30N4O/c1-15-19(16(2)25-22-15)14-21-13-17-7-5-6-8-20(17)24(4)18-9-11-23(3)12-10-18/h5-8,18,21H,9-14H2,1-4H3
InChIKeyPLUPGTXZTGIWOY-UHFFFAOYSA-N
MW342.49 g/mol
LogP3.11
Rot. Bonds6

About N-[2-[[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]methyl]phenyl]-N,1-dimethylpiperidin-4-amine

N-[2-[[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]methyl]phenyl]-N,1-dimethylpiperidin-4-amine (PubChem CID 84586587) has the molecular formula C20H30N4O and a molecular weight of 342.49 g/mol. Its IUPAC name is N-[2-[[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]methyl]phenyl]-N,1-dimethylpiperidin-4-amine.

Molecular Properties

Compound NameN-[2-[[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]methyl]phenyl]-N,1-dimethylpiperidin-4-amine
PubChem CID84586587
Molecular FormulaC20H30N4O
Molecular Weight342.49 g/mol
Exact Mass342.24
IUPAC NameN-[2-[[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]methyl]phenyl]-N,1-dimethylpiperidin-4-amine
SMILESCc1noc(C)c1CNCc1ccccc1N(C)C1CCN(C)CC1
InChIInChI=1S/C20H30N4O/c1-15-19(16(2)25-22-15)14-21-13-17-7-5-6-8-20(17)24(4)18-9-11-23(3)12-10-18/h5-8,18,21H,9-14H2,1-4H3
InChIKeyPLUPGTXZTGIWOY-UHFFFAOYSA-N
XLogP3.11
TPSA44.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.49
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-[[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]methyl]phenyl]-N,1-dimethylpiperidin-4-amine?
The IUPAC name of N-[2-[[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]methyl]phenyl]-N,1-dimethylpiperidin-4-amine (CID 84586587) is N-[2-[[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]methyl]phenyl]-N,1-dimethylpiperidin-4-amine.
What is the SMILES notation for N-[2-[[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]methyl]phenyl]-N,1-dimethylpiperidin-4-amine?
The canonical SMILES for N-[2-[[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]methyl]phenyl]-N,1-dimethylpiperidin-4-amine is Cc1noc(C)c1CNCc1ccccc1N(C)C1CCN(C)CC1.
What is the InChIKey of N-[2-[[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]methyl]phenyl]-N,1-dimethylpiperidin-4-amine?
The InChIKey is PLUPGTXZTGIWOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4O/c1-15-19(16(2)25-22-15)14-21-13-17-7-5-6-8-20(17)24(4)18-9-11-23(3)12-10-18/h5-8,18,21H,9-14H2,1-4H3.
What are the key properties of N-[2-[[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]methyl]phenyl]-N,1-dimethylpiperidin-4-amine?
N-[2-[[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]methyl]phenyl]-N,1-dimethylpiperidin-4-amine has a molecular weight of 342.49 g/mol, XLogP of 3.11, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]methyl]phenyl]-N,1-dimethylpiperidin-4-amine is sourced from PubChem (CID 84586587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).