1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N-methylpiperidin-4-amine;dihydrochloride

C12H23Cl2N3O — CID 119923701

IUPAC1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N-methylpiperidin-4-amine;dihydrochloride
SMILESCNC1CCN(Cc2nc(C)c(C)o2)CC1.Cl.Cl
InChIInChI=1S/C12H21N3O.2ClH/c1-9-10(2)16-12(14-9)8-15-6-4-11(13-3)5-7-15;;/h11,13H,4-8H2,1-3H3;2*1H
InChIKeyWUIRQOAUGSNKNL-UHFFFAOYSA-N
MW296.24 g/mol
LogP2.32
Rot. Bonds3

About 1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N-methylpiperidin-4-amine;dihydrochloride

1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N-methylpiperidin-4-amine;dihydrochloride (PubChem CID 119923701) has the molecular formula C12H23Cl2N3O and a molecular weight of 296.24 g/mol. Its IUPAC name is 1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N-methylpiperidin-4-amine;dihydrochloride.

Molecular Properties

Compound Name1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N-methylpiperidin-4-amine;dihydrochloride
PubChem CID119923701
Molecular FormulaC12H23Cl2N3O
Molecular Weight296.24 g/mol
Exact Mass295.12
IUPAC Name1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N-methylpiperidin-4-amine;dihydrochloride
SMILESCNC1CCN(Cc2nc(C)c(C)o2)CC1.Cl.Cl
InChIInChI=1S/C12H21N3O.2ClH/c1-9-10(2)16-12(14-9)8-15-6-4-11(13-3)5-7-15;;/h11,13H,4-8H2,1-3H3;2*1H
InChIKeyWUIRQOAUGSNKNL-UHFFFAOYSA-N
XLogP2.32
TPSA41.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.24
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N-methylpyrrolidin-3-amine
CID 81493821
N-(cyclopropylmethyl)-1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-4-amine;dihydrochloride
CID 119926784
1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N-ethylpiperidin-4-amine
CID 114180493
1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N,3-dimethylpiperidin-4-amine
CID 114180494
1-[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-3-yl]-N-methylmethanamine
CID 61204064
1-cyclopentyl-2-[[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methyl]guanidine
CID 119147292
2-(3,9-diazabicyclo[4.2.1]nonan-3-ylmethyl)-4,5-dimethyl-1,3-oxazole
CID 81490315
1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-3-amine;dihydrochloride
CID 119910249
1-cyclopropyl-2-[[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methyl]-3-ethylguanidine;hydroiodide
CID 111759478
2-[[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methyl]-1-propan-2-ylguanidine
CID 111808286
N-[[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methyl]-2-methyl-3-(methylamino)propanamide
CID 119884318
(3S)-1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-3-ol
CID 107226246

Frequently Asked Questions

What is the IUPAC name of 1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N-methylpiperidin-4-amine;dihydrochloride?
The IUPAC name of 1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N-methylpiperidin-4-amine;dihydrochloride (CID 119923701) is 1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N-methylpiperidin-4-amine;dihydrochloride.
What is the SMILES notation for 1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N-methylpiperidin-4-amine;dihydrochloride?
The canonical SMILES for 1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N-methylpiperidin-4-amine;dihydrochloride is CNC1CCN(Cc2nc(C)c(C)o2)CC1.Cl.Cl.
What is the InChIKey of 1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N-methylpiperidin-4-amine;dihydrochloride?
The InChIKey is WUIRQOAUGSNKNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O.2ClH/c1-9-10(2)16-12(14-9)8-15-6-4-11(13-3)5-7-15;;/h11,13H,4-8H2,1-3H3;2*1H.
What are the key properties of 1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N-methylpiperidin-4-amine;dihydrochloride?
1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N-methylpiperidin-4-amine;dihydrochloride has a molecular weight of 296.24 g/mol, XLogP of 2.32, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N-methylpiperidin-4-amine;dihydrochloride is sourced from PubChem (CID 119923701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).