2-[2-(4-fluoro-3-methylphenyl)-5-methylpiperidin-1-yl]-2-oxoacetaldehyde

C15H18FNO2 — CID 164751514

IUPAC2-[2-(4-fluoro-3-methylphenyl)-5-methylpiperidin-1-yl]-2-oxoacetaldehyde
SMILESCc1cc(C2CCC(C)CN2C(=O)C=O)ccc1F
InChIInChI=1S/C15H18FNO2/c1-10-3-6-14(17(8-10)15(19)9-18)12-4-5-13(16)11(2)7-12/h4-5,7,9-10,14H,3,6,8H2,1-2H3
InChIKeyIGDCCJQYGWWUIZ-UHFFFAOYSA-N
MW263.31 g/mol
LogP2.63
Rot. Bonds2

About 2-[2-(4-fluoro-3-methylphenyl)-5-methylpiperidin-1-yl]-2-oxoacetaldehyde

2-[2-(4-fluoro-3-methylphenyl)-5-methylpiperidin-1-yl]-2-oxoacetaldehyde (PubChem CID 164751514) has the molecular formula C15H18FNO2 and a molecular weight of 263.31 g/mol. Its IUPAC name is 2-[2-(4-fluoro-3-methylphenyl)-5-methylpiperidin-1-yl]-2-oxoacetaldehyde.

Molecular Properties

Compound Name2-[2-(4-fluoro-3-methylphenyl)-5-methylpiperidin-1-yl]-2-oxoacetaldehyde
PubChem CID164751514
Molecular FormulaC15H18FNO2
Molecular Weight263.31 g/mol
Exact Mass263.13
IUPAC Name2-[2-(4-fluoro-3-methylphenyl)-5-methylpiperidin-1-yl]-2-oxoacetaldehyde
SMILESCc1cc(C2CCC(C)CN2C(=O)C=O)ccc1F
InChIInChI=1S/C15H18FNO2/c1-10-3-6-14(17(8-10)15(19)9-18)12-4-5-13(16)11(2)7-12/h4-5,7,9-10,14H,3,6,8H2,1-2H3
InChIKeyIGDCCJQYGWWUIZ-UHFFFAOYSA-N
XLogP2.63
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.31
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

lithium;1-[2-(4-fluoro-3-methylphenyl)-5-methylpiperidin-1-yl]ethane-1,2-dione;hydroxide
CID 164751513
5-[[2-[(2S,5R)-2-(4-fluoro-3-methylphenyl)-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide
CID 164750589
(3R,6R)-1-(cyclopentanecarbonyl)-6-(4-fluoro-3-methylphenyl)piperidine-3-carboxylic acid
CID 92996555
cyclopropyl-[2-(4-fluoro-3-methylphenyl)-5-(morpholine-4-carbonyl)piperidin-1-yl]methanone
CID 71955059
1-[4-[1-acetyl-6-(4-fluoro-3-methylphenyl)piperidine-3-carbonyl]piperazin-1-yl]ethanone
CID 42866441
2-[(2S,5R)-2-(4-fluorophenyl)-5-methylpiperidin-1-yl]-2-oxoacetic acid
CID 164752458
1-N-butyl-6-(4-fluoro-3-methylphenyl)-3-N-prop-2-enylpiperidine-1,3-dicarboxamide
CID 46067622
(3S,6S)-1-(cyclopropanecarbonyl)-6-(4-fluoro-3-methylphenyl)-N-[(2-fluorophenyl)methyl]piperidine-3-carboxamide
CID 92996779
(3R,6R)-1-(cyclopentanecarbonyl)-N-(cyclopropylmethyl)-6-(4-fluoro-3-methylphenyl)piperidine-3-carboxamide
CID 93001653
3-(4-fluoro-3-methylphenyl)pyrrolidine-1-carboxylic acid
CID 175474650
N-benzyl-1-(cyclopropanecarbonyl)-6-(4-fluoro-3-methylphenyl)-N-methylpiperidine-3-carboxamide
CID 71955058
1-acetyl-6-(4-fluoro-3-methylphenyl)-N-(4-methoxyphenyl)piperidine-3-carboxamide
CID 46067468

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-fluoro-3-methylphenyl)-5-methylpiperidin-1-yl]-2-oxoacetaldehyde?
The IUPAC name of 2-[2-(4-fluoro-3-methylphenyl)-5-methylpiperidin-1-yl]-2-oxoacetaldehyde (CID 164751514) is 2-[2-(4-fluoro-3-methylphenyl)-5-methylpiperidin-1-yl]-2-oxoacetaldehyde.
What is the SMILES notation for 2-[2-(4-fluoro-3-methylphenyl)-5-methylpiperidin-1-yl]-2-oxoacetaldehyde?
The canonical SMILES for 2-[2-(4-fluoro-3-methylphenyl)-5-methylpiperidin-1-yl]-2-oxoacetaldehyde is Cc1cc(C2CCC(C)CN2C(=O)C=O)ccc1F.
What is the InChIKey of 2-[2-(4-fluoro-3-methylphenyl)-5-methylpiperidin-1-yl]-2-oxoacetaldehyde?
The InChIKey is IGDCCJQYGWWUIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FNO2/c1-10-3-6-14(17(8-10)15(19)9-18)12-4-5-13(16)11(2)7-12/h4-5,7,9-10,14H,3,6,8H2,1-2H3.
What are the key properties of 2-[2-(4-fluoro-3-methylphenyl)-5-methylpiperidin-1-yl]-2-oxoacetaldehyde?
2-[2-(4-fluoro-3-methylphenyl)-5-methylpiperidin-1-yl]-2-oxoacetaldehyde has a molecular weight of 263.31 g/mol, XLogP of 2.63, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-fluoro-3-methylphenyl)-5-methylpiperidin-1-yl]-2-oxoacetaldehyde is sourced from PubChem (CID 164751514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).