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

C13H23N3O — CID 115712436

IUPACN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1,3-dimethylpiperidin-4-amine
SMILESCc1noc(C)c1CNC1CCN(C)CC1C
InChIInChI=1S/C13H23N3O/c1-9-8-16(4)6-5-13(9)14-7-12-10(2)15-17-11(12)3/h9,13-14H,5-8H2,1-4H3
InChIKeyXLBMTERZOIJNFW-UHFFFAOYSA-N
MW237.35 g/mol
LogP1.72
Rot. Bonds3

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

N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1,3-dimethylpiperidin-4-amine (PubChem CID 115712436) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1,3-dimethylpiperidin-4-amine.

Molecular Properties

Compound NameN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1,3-dimethylpiperidin-4-amine
PubChem CID115712436
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC NameN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1,3-dimethylpiperidin-4-amine
SMILESCc1noc(C)c1CNC1CCN(C)CC1C
InChIInChI=1S/C13H23N3O/c1-9-8-16(4)6-5-13(9)14-7-12-10(2)15-17-11(12)3/h9,13-14H,5-8H2,1-4H3
InChIKeyXLBMTERZOIJNFW-UHFFFAOYSA-N
XLogP1.72
TPSA41.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methylpiperidin-4-amine
CID 43215966
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methylpiperidin-3-amine
CID 61210087
1,3-dimethyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-amine
CID 115716903
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
CID 43752418
N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-1,3-dimethylpiperidin-4-amine
CID 113262455
N-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-1,3-dimethylpiperidin-4-amine
CID 114503529
trans-(1R,2R)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]cyclopentan-1-ol
CID 102733691
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-(4-methylpiperidin-1-yl)ethanamine
CID 61240480
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3,4-dimethylcyclohexan-1-amine
CID 64738720
N-[(3,5-difluorophenyl)methyl]-1,3-dimethylpiperidin-4-amine
CID 113260030
cis-(1S,3R)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-methylcyclopentan-1-amine
CID 97039099
N-[(1-ethylpyrazol-4-yl)methyl]-1,3-dimethylpiperidin-4-amine
CID 115622223

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1,3-dimethylpiperidin-4-amine?
The IUPAC name of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1,3-dimethylpiperidin-4-amine (CID 115712436) is N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1,3-dimethylpiperidin-4-amine.
What is the SMILES notation for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1,3-dimethylpiperidin-4-amine?
The canonical SMILES for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1,3-dimethylpiperidin-4-amine is Cc1noc(C)c1CNC1CCN(C)CC1C.
What is the InChIKey of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1,3-dimethylpiperidin-4-amine?
The InChIKey is XLBMTERZOIJNFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-9-8-16(4)6-5-13(9)14-7-12-10(2)15-17-11(12)3/h9,13-14H,5-8H2,1-4H3.
What are the key properties of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1,3-dimethylpiperidin-4-amine?
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1,3-dimethylpiperidin-4-amine has a molecular weight of 237.35 g/mol, XLogP of 1.72, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1,3-dimethylpiperidin-4-amine is sourced from PubChem (CID 115712436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).