1-[1-[(3-methyl-1,2-oxazol-5-yl)methyl]piperidin-4-yl]ethanamine

C12H21N3O — CID 63594677

IUPAC1-[1-[(3-methyl-1,2-oxazol-5-yl)methyl]piperidin-4-yl]ethanamine
SMILESCc1cc(CN2CCC(C(C)N)CC2)on1
InChIInChI=1S/C12H21N3O/c1-9-7-12(16-14-9)8-15-5-3-11(4-6-15)10(2)13/h7,10-11H,3-6,8,13H2,1-2H3
InChIKeyZPEYXGNAXDTMGY-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.54
Rot. Bonds3

About 1-[1-[(3-methyl-1,2-oxazol-5-yl)methyl]piperidin-4-yl]ethanamine

1-[1-[(3-methyl-1,2-oxazol-5-yl)methyl]piperidin-4-yl]ethanamine (PubChem CID 63594677) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 1-[1-[(3-methyl-1,2-oxazol-5-yl)methyl]piperidin-4-yl]ethanamine.

Molecular Properties

Compound Name1-[1-[(3-methyl-1,2-oxazol-5-yl)methyl]piperidin-4-yl]ethanamine
PubChem CID63594677
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name1-[1-[(3-methyl-1,2-oxazol-5-yl)methyl]piperidin-4-yl]ethanamine
SMILESCc1cc(CN2CCC(C(C)N)CC2)on1
InChIInChI=1S/C12H21N3O/c1-9-7-12(16-14-9)8-15-5-3-11(4-6-15)10(2)13/h7,10-11H,3-6,8,13H2,1-2H3
InChIKeyZPEYXGNAXDTMGY-UHFFFAOYSA-N
XLogP1.54
TPSA55.29 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 ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-5-[(4-piperidin-1-ylpiperidin-1-yl)methyl]-1,2-oxazole
CID 53017358
1-[1-[(3-methyl-1,2-oxazol-5-yl)methyl]piperidin-2-yl]ethanamine
CID 63255733
3-methyl-5-[[(1S,6R)-9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonan-3-yl]methyl]-1,2-oxazole
CID 97004937
1-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-3-(4-methylpiperidin-1-yl)propan-2-ol
CID 110905121
2-[4-(1-aminoethyl)piperidin-1-yl]-N-(3-methyl-1,2-oxazol-5-yl)acetamide
CID 63595182
3-methyl-5-(thiomorpholin-4-ylmethyl)-1,2-oxazole
CID 171326405
2-[1-[(3-methyl-1,2-oxazol-5-yl)methyl]piperidin-4-yl]oxyethanol
CID 115771137
N,N-bis[(2S)-butan-2-yl]-2-[methyl-[1-[(3-methyl-1,2-oxazol-5-yl)methyl]piperidin-4-yl]amino]acetamide
CID 95785641
3-methyl-5-[[3-(3-methylbutoxy)pyrrolidin-1-yl]methyl]-1,2-oxazole
CID 71859846
(2R)-2-amino-1-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]butan-1-one
CID 79024601
[4-methyl-1-[(3-methyl-1,2-oxazol-5-yl)methyl]piperidin-3-yl]methanamine
CID 114961443
3-amino-1-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]butan-1-one;dihydrochloride
CID 119399329

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(3-methyl-1,2-oxazol-5-yl)methyl]piperidin-4-yl]ethanamine?
The IUPAC name of 1-[1-[(3-methyl-1,2-oxazol-5-yl)methyl]piperidin-4-yl]ethanamine (CID 63594677) is 1-[1-[(3-methyl-1,2-oxazol-5-yl)methyl]piperidin-4-yl]ethanamine.
What is the SMILES notation for 1-[1-[(3-methyl-1,2-oxazol-5-yl)methyl]piperidin-4-yl]ethanamine?
The canonical SMILES for 1-[1-[(3-methyl-1,2-oxazol-5-yl)methyl]piperidin-4-yl]ethanamine is Cc1cc(CN2CCC(C(C)N)CC2)on1.
What is the InChIKey of 1-[1-[(3-methyl-1,2-oxazol-5-yl)methyl]piperidin-4-yl]ethanamine?
The InChIKey is ZPEYXGNAXDTMGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-9-7-12(16-14-9)8-15-5-3-11(4-6-15)10(2)13/h7,10-11H,3-6,8,13H2,1-2H3.
What are the key properties of 1-[1-[(3-methyl-1,2-oxazol-5-yl)methyl]piperidin-4-yl]ethanamine?
1-[1-[(3-methyl-1,2-oxazol-5-yl)methyl]piperidin-4-yl]ethanamine has a molecular weight of 223.32 g/mol, XLogP of 1.54, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(3-methyl-1,2-oxazol-5-yl)methyl]piperidin-4-yl]ethanamine is sourced from PubChem (CID 63594677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).