2-[2-[(1-methylpiperidin-2-yl)methyl]-1,3-oxazol-5-yl]acetaldehyde

C12H18N2O2 — CID 115086163

IUPAC2-[2-[(1-methylpiperidin-2-yl)methyl]-1,3-oxazol-5-yl]acetaldehyde
SMILESCN1CCCCC1Cc1ncc(CC=O)o1
InChIInChI=1S/C12H18N2O2/c1-14-6-3-2-4-10(14)8-12-13-9-11(16-12)5-7-15/h7,9-10H,2-6,8H2,1H3
InChIKeyQFERQERAYGNOAK-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.44
Rot. Bonds4

About 2-[2-[(1-methylpiperidin-2-yl)methyl]-1,3-oxazol-5-yl]acetaldehyde

2-[2-[(1-methylpiperidin-2-yl)methyl]-1,3-oxazol-5-yl]acetaldehyde (PubChem CID 115086163) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 2-[2-[(1-methylpiperidin-2-yl)methyl]-1,3-oxazol-5-yl]acetaldehyde.

Molecular Properties

Compound Name2-[2-[(1-methylpiperidin-2-yl)methyl]-1,3-oxazol-5-yl]acetaldehyde
PubChem CID115086163
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name2-[2-[(1-methylpiperidin-2-yl)methyl]-1,3-oxazol-5-yl]acetaldehyde
SMILESCN1CCCCC1Cc1ncc(CC=O)o1
InChIInChI=1S/C12H18N2O2/c1-14-6-3-2-4-10(14)8-12-13-9-11(16-12)5-7-15/h7,9-10H,2-6,8H2,1H3
InChIKeyQFERQERAYGNOAK-UHFFFAOYSA-N
XLogP1.44
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

3-[2-[(1-methylpiperidin-2-yl)methyl]-1,3-oxazol-5-yl]propanoic acid
CID 115086271
1-[2-[(1-methylpyrrolidin-2-yl)methyl]-1,3-oxazol-5-yl]propan-2-ol
CID 115085991
1-[2-[(1-methylpiperidin-2-yl)methyl]-1,3-oxazol-5-yl]ethanol
CID 115086123
N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-(1-methylpiperidin-2-yl)methanamine
CID 106369735
[2-[(1-ethylpyrrolidin-2-yl)methyl]-1,3-oxazol-5-yl]methanol
CID 115085964
3-[2-[(1-propan-2-ylpyrrolidin-2-yl)methyl]-1,3-oxazol-5-yl]propanoic acid
CID 115086113
3-[2-[(1-ethylpiperidin-2-yl)methyl]-1,3-oxazol-5-yl]-N-methylpropan-1-amine
CID 115086252
2-[2-[(1-methylpiperidin-2-yl)methyl]-1,3-thiazol-5-yl]acetic acid
CID 115091039
3-[(1-methylpiperidin-2-yl)methyl]-1,2,4-oxadiazole-5-carbaldehyde
CID 115080126
1-[2-[(1-ethylpiperidin-2-yl)methyl]-1,3-oxazol-5-yl]ethanone
CID 115086140
(Z)-5-(1-methylpiperidin-2-yl)pent-3-enal
CID 117267742
2-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-methylpiperidine
CID 141275446

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(1-methylpiperidin-2-yl)methyl]-1,3-oxazol-5-yl]acetaldehyde?
The IUPAC name of 2-[2-[(1-methylpiperidin-2-yl)methyl]-1,3-oxazol-5-yl]acetaldehyde (CID 115086163) is 2-[2-[(1-methylpiperidin-2-yl)methyl]-1,3-oxazol-5-yl]acetaldehyde.
What is the SMILES notation for 2-[2-[(1-methylpiperidin-2-yl)methyl]-1,3-oxazol-5-yl]acetaldehyde?
The canonical SMILES for 2-[2-[(1-methylpiperidin-2-yl)methyl]-1,3-oxazol-5-yl]acetaldehyde is CN1CCCCC1Cc1ncc(CC=O)o1.
What is the InChIKey of 2-[2-[(1-methylpiperidin-2-yl)methyl]-1,3-oxazol-5-yl]acetaldehyde?
The InChIKey is QFERQERAYGNOAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-14-6-3-2-4-10(14)8-12-13-9-11(16-12)5-7-15/h7,9-10H,2-6,8H2,1H3.
What are the key properties of 2-[2-[(1-methylpiperidin-2-yl)methyl]-1,3-oxazol-5-yl]acetaldehyde?
2-[2-[(1-methylpiperidin-2-yl)methyl]-1,3-oxazol-5-yl]acetaldehyde has a molecular weight of 222.29 g/mol, XLogP of 1.44, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(1-methylpiperidin-2-yl)methyl]-1,3-oxazol-5-yl]acetaldehyde is sourced from PubChem (CID 115086163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).