N-ethyl-2-methyl-1-(1,2-oxazol-3-ylmethyl)piperidin-4-amine

C12H21N3O — CID 81177465

IUPACN-ethyl-2-methyl-1-(1,2-oxazol-3-ylmethyl)piperidin-4-amine
SMILESCCNC1CCN(Cc2ccon2)C(C)C1
InChIInChI=1S/C12H21N3O/c1-3-13-11-4-6-15(10(2)8-11)9-12-5-7-16-14-12/h5,7,10-11,13H,3-4,6,8-9H2,1-2H3
InChIKeyVOOOGOJQRPVJGN-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.64
Rot. Bonds4

About N-ethyl-2-methyl-1-(1,2-oxazol-3-ylmethyl)piperidin-4-amine

N-ethyl-2-methyl-1-(1,2-oxazol-3-ylmethyl)piperidin-4-amine (PubChem CID 81177465) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is N-ethyl-2-methyl-1-(1,2-oxazol-3-ylmethyl)piperidin-4-amine.

Molecular Properties

Compound NameN-ethyl-2-methyl-1-(1,2-oxazol-3-ylmethyl)piperidin-4-amine
PubChem CID81177465
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC NameN-ethyl-2-methyl-1-(1,2-oxazol-3-ylmethyl)piperidin-4-amine
SMILESCCNC1CCN(Cc2ccon2)C(C)C1
InChIInChI=1S/C12H21N3O/c1-3-13-11-4-6-15(10(2)8-11)9-12-5-7-16-14-12/h5,7,10-11,13H,3-4,6,8-9H2,1-2H3
InChIKeyVOOOGOJQRPVJGN-UHFFFAOYSA-N
XLogP1.64
TPSA41.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(Isoxazol-3-ylmethyl)-1-(3-methylbutyl)piperazin-2-yl]ethanol
CID 16191041
2-[1-(cyclohexylmethyl)-3-oxo-2-piperazinyl]-N-(3-isoxazolylmethyl)-N-methylacetamide
CID 16192260
2-[1-(2,2-dimethylpropyl)-3-oxopiperazin-2-yl]-N-(isoxazol-3-ylmethyl)-N-methylacetamide
CID 16187563
Isoxazole, 5-methyl-3-(piperidinomethyl)-, hydrochloride
CID 13673
Methyl(1,2-oxazol-3-ylmethyl)amine
CID 23006272
1-(1,2-Oxazol-3-ylmethyl)piperazine
CID 4914503
N-[2-[cyclopropyl(methyl)amino]propyl]-4-(1,2-oxazol-3-ylmethyl)piperazine-1-carboxamide
CID 71868342
N-[2-(1-methylpiperidin-4-yl)ethyl]-4-(1,2-oxazol-3-ylmethyl)piperazine-1-carboxamide
CID 71868350
N-(1,2-oxazol-3-ylmethyl)-N-(3,3,3-trifluoropropyl)cyclopentanamine
CID 71973879
N-[(1-methylpiperidin-3-yl)methyl]-4-(1,2-oxazol-3-ylmethyl)piperazine-1-carboxamide
CID 71985669
N-[2-[methyl(propan-2-yl)amino]ethyl]-4-(1,2-oxazol-3-ylmethyl)piperazine-1-carboxamide
CID 71990256
N-cyclohexyl-N-methyl-4-(1,2-oxazol-3-ylmethyl)piperazine-1-sulfonamide
CID 72003295

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-methyl-1-(1,2-oxazol-3-ylmethyl)piperidin-4-amine?
The IUPAC name of N-ethyl-2-methyl-1-(1,2-oxazol-3-ylmethyl)piperidin-4-amine (CID 81177465) is N-ethyl-2-methyl-1-(1,2-oxazol-3-ylmethyl)piperidin-4-amine.
What is the SMILES notation for N-ethyl-2-methyl-1-(1,2-oxazol-3-ylmethyl)piperidin-4-amine?
The canonical SMILES for N-ethyl-2-methyl-1-(1,2-oxazol-3-ylmethyl)piperidin-4-amine is CCNC1CCN(Cc2ccon2)C(C)C1.
What is the InChIKey of N-ethyl-2-methyl-1-(1,2-oxazol-3-ylmethyl)piperidin-4-amine?
The InChIKey is VOOOGOJQRPVJGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-3-13-11-4-6-15(10(2)8-11)9-12-5-7-16-14-12/h5,7,10-11,13H,3-4,6,8-9H2,1-2H3.
What are the key properties of N-ethyl-2-methyl-1-(1,2-oxazol-3-ylmethyl)piperidin-4-amine?
N-ethyl-2-methyl-1-(1,2-oxazol-3-ylmethyl)piperidin-4-amine has a molecular weight of 223.32 g/mol, XLogP of 1.64, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-methyl-1-(1,2-oxazol-3-ylmethyl)piperidin-4-amine is sourced from PubChem (CID 81177465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).