acetaldehyde;6-fluoro-3-piperidin-4-yl-1,2-benzoxazole

C14H17FN2O2 — CID 158743343

IUPACacetaldehyde;6-fluoro-3-piperidin-4-yl-1,2-benzoxazole
SMILESCC=O.Fc1ccc2c(C3CCNCC3)noc2c1
InChIInChI=1S/C12H13FN2O.C2H4O/c13-9-1-2-10-11(7-9)16-15-12(10)8-3-5-14-6-4-8;1-2-3/h1-2,7-8,14H,3-6H2;2H,1H3
InChIKeyIMORYAKAHXCNHJ-UHFFFAOYSA-N
MW264.30 g/mol
LogP2.64
Rot. Bonds1

About acetaldehyde;6-fluoro-3-piperidin-4-yl-1,2-benzoxazole

acetaldehyde;6-fluoro-3-piperidin-4-yl-1,2-benzoxazole (PubChem CID 158743343) has the molecular formula C14H17FN2O2 and a molecular weight of 264.30 g/mol. Its IUPAC name is acetaldehyde;6-fluoro-3-piperidin-4-yl-1,2-benzoxazole.

Molecular Properties

Compound Nameacetaldehyde;6-fluoro-3-piperidin-4-yl-1,2-benzoxazole
PubChem CID158743343
Molecular FormulaC14H17FN2O2
Molecular Weight264.30 g/mol
Exact Mass264.13
IUPAC Nameacetaldehyde;6-fluoro-3-piperidin-4-yl-1,2-benzoxazole
SMILESCC=O.Fc1ccc2c(C3CCNCC3)noc2c1
InChIInChI=1S/C12H13FN2O.C2H4O/c13-9-1-2-10-11(7-9)16-15-12(10)8-3-5-14-6-4-8;1-2-3/h1-2,7-8,14H,3-6H2;2H,1H3
InChIKeyIMORYAKAHXCNHJ-UHFFFAOYSA-N
XLogP2.64
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.30
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-fluoro-3-(1-methylpiperidin-4-yl)-1,2-benzoxazole;6-fluoro-3-piperidin-4-yl-1,2-benzoxazole;methane;hydrochloride
CID 159928028
6-methoxy-3-piperidin-4-yl-1,2-benzoxazole;hydrochloride
CID 52983604
3-(1-chloropiperidin-4-yl)-6-fluoro-1,2-benzoxazole
CID 89080294
1-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]prop-2-en-1-one
CID 127267392
2-[3-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]propoxy]aniline;6-fluoro-3-piperidin-4-yl-1,2-benzoxazole;dihydrochloride
CID 158688276
3-piperidin-4-yl-1,2-benzoxazole;hydrochloride
CID 13076437
4-(6-fluoro-1,2-benzoxazol-3-yl)cyclohexane-1-carbohydrazide
CID 58484940
6-fluoro-3-[1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]-1,2-benzoxazole
CID 163344185
(Z)-2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]but-2-enedioic acid
CID 67070819
3-ethyl-1-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]pentan-3-ol
CID 18467342
6-fluoro-3-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]-1,2-benzoxazole
CID 138038779
6-fluoro-3-(1-heptylpiperidin-4-yl)-1,2-benzoxazole
CID 174359166

Frequently Asked Questions

What is the IUPAC name of acetaldehyde;6-fluoro-3-piperidin-4-yl-1,2-benzoxazole?
The IUPAC name of acetaldehyde;6-fluoro-3-piperidin-4-yl-1,2-benzoxazole (CID 158743343) is acetaldehyde;6-fluoro-3-piperidin-4-yl-1,2-benzoxazole.
What is the SMILES notation for acetaldehyde;6-fluoro-3-piperidin-4-yl-1,2-benzoxazole?
The canonical SMILES for acetaldehyde;6-fluoro-3-piperidin-4-yl-1,2-benzoxazole is CC=O.Fc1ccc2c(C3CCNCC3)noc2c1.
What is the InChIKey of acetaldehyde;6-fluoro-3-piperidin-4-yl-1,2-benzoxazole?
The InChIKey is IMORYAKAHXCNHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN2O.C2H4O/c13-9-1-2-10-11(7-9)16-15-12(10)8-3-5-14-6-4-8;1-2-3/h1-2,7-8,14H,3-6H2;2H,1H3.
What are the key properties of acetaldehyde;6-fluoro-3-piperidin-4-yl-1,2-benzoxazole?
acetaldehyde;6-fluoro-3-piperidin-4-yl-1,2-benzoxazole has a molecular weight of 264.30 g/mol, XLogP of 2.64, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for acetaldehyde;6-fluoro-3-piperidin-4-yl-1,2-benzoxazole is sourced from PubChem (CID 158743343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).