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

C12H21N3O — CID 63847521

IUPACN-[[1-(1,2-oxazol-5-ylmethyl)piperidin-4-yl]methyl]ethanamine
SMILESCCNCC1CCN(Cc2ccno2)CC1
InChIInChI=1S/C12H21N3O/c1-2-13-9-11-4-7-15(8-5-11)10-12-3-6-14-16-12/h3,6,11,13H,2,4-5,7-10H2,1H3
InChIKeyAYJCOVQSEXPEGQ-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.50
Rot. Bonds5

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

N-[[1-(1,2-oxazol-5-ylmethyl)piperidin-4-yl]methyl]ethanamine (PubChem CID 63847521) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is N-[[1-(1,2-oxazol-5-ylmethyl)piperidin-4-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[1-(1,2-oxazol-5-ylmethyl)piperidin-4-yl]methyl]ethanamine
PubChem CID63847521
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC NameN-[[1-(1,2-oxazol-5-ylmethyl)piperidin-4-yl]methyl]ethanamine
SMILESCCNCC1CCN(Cc2ccno2)CC1
InChIInChI=1S/C12H21N3O/c1-2-13-9-11-4-7-15(8-5-11)10-12-3-6-14-16-12/h3,6,11,13H,2,4-5,7-10H2,1H3
InChIKeyAYJCOVQSEXPEGQ-UHFFFAOYSA-N
XLogP1.50
TPSA41.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(1,2-oxazol-5-ylmethyl)piperidin-4-yl]methyl]ethanamine?
The IUPAC name of N-[[1-(1,2-oxazol-5-ylmethyl)piperidin-4-yl]methyl]ethanamine (CID 63847521) is N-[[1-(1,2-oxazol-5-ylmethyl)piperidin-4-yl]methyl]ethanamine.
What is the SMILES notation for N-[[1-(1,2-oxazol-5-ylmethyl)piperidin-4-yl]methyl]ethanamine?
The canonical SMILES for N-[[1-(1,2-oxazol-5-ylmethyl)piperidin-4-yl]methyl]ethanamine is CCNCC1CCN(Cc2ccno2)CC1.
What is the InChIKey of N-[[1-(1,2-oxazol-5-ylmethyl)piperidin-4-yl]methyl]ethanamine?
The InChIKey is AYJCOVQSEXPEGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-2-13-9-11-4-7-15(8-5-11)10-12-3-6-14-16-12/h3,6,11,13H,2,4-5,7-10H2,1H3.
What are the key properties of N-[[1-(1,2-oxazol-5-ylmethyl)piperidin-4-yl]methyl]ethanamine?
N-[[1-(1,2-oxazol-5-ylmethyl)piperidin-4-yl]methyl]ethanamine has a molecular weight of 223.32 g/mol, XLogP of 1.50, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(1,2-oxazol-5-ylmethyl)piperidin-4-yl]methyl]ethanamine is sourced from PubChem (CID 63847521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).