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

C12H21N3O — CID 61210087

IUPACN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methylpiperidin-3-amine
SMILESCc1noc(C)c1CNC1CCCN(C)C1
InChIInChI=1S/C12H21N3O/c1-9-12(10(2)16-14-9)7-13-11-5-4-6-15(3)8-11/h11,13H,4-8H2,1-3H3
InChIKeyKMQWGYRUFFZOSK-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.48
Rot. Bonds3

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

N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methylpiperidin-3-amine (PubChem CID 61210087) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methylpiperidin-3-amine.

Molecular Properties

Compound NameN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methylpiperidin-3-amine
PubChem CID61210087
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC NameN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methylpiperidin-3-amine
SMILESCc1noc(C)c1CNC1CCCN(C)C1
InChIInChI=1S/C12H21N3O/c1-9-12(10(2)16-14-9)7-13-11-5-4-6-15(3)8-11/h11,13H,4-8H2,1-3H3
InChIKeyKMQWGYRUFFZOSK-UHFFFAOYSA-N
XLogP1.48
TPSA41.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.48
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]-1,3-dimethylpiperidin-4-amine
CID 115712436
1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methyl-3-[(3R)-1-methylpiperidin-3-yl]urea
CID 94442857
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
CID 43752418
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3,4-dimethylcyclohexan-1-amine
CID 64738720
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine
CID 78915034
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]spiro[4.5]decan-8-amine
CID 114817757
cis-(1S,3R)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-methylcyclopentan-1-amine
CID 97039099
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]cyclohexane-1-carboxylic acid
CID 63042988
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-(1-methylpyrrolidin-2-yl)methanamine
CID 103626255
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-phenylpiperidin-4-amine
CID 103625283
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-pyridin-2-ylpiperidin-4-amine
CID 43675430

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methylpiperidin-3-amine?
The IUPAC name of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methylpiperidin-3-amine (CID 61210087) is N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methylpiperidin-3-amine.
What is the SMILES notation for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methylpiperidin-3-amine?
The canonical SMILES for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methylpiperidin-3-amine is Cc1noc(C)c1CNC1CCCN(C)C1.
What is the InChIKey of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methylpiperidin-3-amine?
The InChIKey is KMQWGYRUFFZOSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-9-12(10(2)16-14-9)7-13-11-5-4-6-15(3)8-11/h11,13H,4-8H2,1-3H3.
What are the key properties of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methylpiperidin-3-amine?
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methylpiperidin-3-amine has a molecular weight of 223.32 g/mol, XLogP of 1.48, 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-methylpiperidin-3-amine is sourced from PubChem (CID 61210087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).