2,3,4-trifluoro-5-(1,2,2,3-tetramethylpiperidin-4-yl)pentanal

C14H24F3NO — CID 175586102

IUPAC2,3,4-trifluoro-5-(1,2,2,3-tetramethylpiperidin-4-yl)pentanal
SMILESCC1C(CC(F)C(F)C(F)C=O)CCN(C)C1(C)C
InChIInChI=1S/C14H24F3NO/c1-9-10(5-6-18(4)14(9,2)3)7-11(15)13(17)12(16)8-19/h8-13H,5-7H2,1-4H3
InChIKeyOVJRKMUGNUESCV-UHFFFAOYSA-N
MW279.35 g/mol
LogP2.96
Rot. Bonds5

About 2,3,4-trifluoro-5-(1,2,2,3-tetramethylpiperidin-4-yl)pentanal

2,3,4-trifluoro-5-(1,2,2,3-tetramethylpiperidin-4-yl)pentanal (PubChem CID 175586102) has the molecular formula C14H24F3NO and a molecular weight of 279.35 g/mol. Its IUPAC name is 2,3,4-trifluoro-5-(1,2,2,3-tetramethylpiperidin-4-yl)pentanal.

Molecular Properties

Compound Name2,3,4-trifluoro-5-(1,2,2,3-tetramethylpiperidin-4-yl)pentanal
PubChem CID175586102
Molecular FormulaC14H24F3NO
Molecular Weight279.35 g/mol
Exact Mass279.18
IUPAC Name2,3,4-trifluoro-5-(1,2,2,3-tetramethylpiperidin-4-yl)pentanal
SMILESCC1C(CC(F)C(F)C(F)C=O)CCN(C)C1(C)C
InChIInChI=1S/C14H24F3NO/c1-9-10(5-6-18(4)14(9,2)3)7-11(15)13(17)12(16)8-19/h8-13H,5-7H2,1-4H3
InChIKeyOVJRKMUGNUESCV-UHFFFAOYSA-N
XLogP2.96
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.35
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-Fluoro-3-(1-methylpiperidin-3-yl)propanal
CID 105435539
2-Fluoro-3-(1-methylpiperidin-4-yl)propanal
CID 105435541
2,2-Difluoro-3-(1-methylpiperidin-3-yl)propanal
CID 105444836
2-(1-Tert-butylpiperidin-3-yl)-2-fluoroacetaldehyde
CID 105453828
2-(1-Tert-butylpiperidin-3-yl)-2,2-difluoroacetaldehyde
CID 105474078
4-(1-Butylpiperidin-4-yl)butanal
CID 54002027
4-(1-Propylpiperidin-4-yl)butanal
CID 87600014
4-(1-Ethylpiperidin-4-yl)butanal
CID 87600165
4-(1-Methylpiperidin-4-yl)butanal
CID 87601530
2-[2-Methyl-1-(2-methylpropyl)piperidin-2-yl]acetaldehyde
CID 87862361
2-(1,4,6-Trimethylpiperidin-2-yl)acetaldehyde
CID 88268707
2-[2-(1-Methylpiperidin-4-yl)cyclopropyl]acetaldehyde
CID 88533439

Frequently Asked Questions

What is the IUPAC name of 2,3,4-trifluoro-5-(1,2,2,3-tetramethylpiperidin-4-yl)pentanal?
The IUPAC name of 2,3,4-trifluoro-5-(1,2,2,3-tetramethylpiperidin-4-yl)pentanal (CID 175586102) is 2,3,4-trifluoro-5-(1,2,2,3-tetramethylpiperidin-4-yl)pentanal.
What is the SMILES notation for 2,3,4-trifluoro-5-(1,2,2,3-tetramethylpiperidin-4-yl)pentanal?
The canonical SMILES for 2,3,4-trifluoro-5-(1,2,2,3-tetramethylpiperidin-4-yl)pentanal is CC1C(CC(F)C(F)C(F)C=O)CCN(C)C1(C)C.
What is the InChIKey of 2,3,4-trifluoro-5-(1,2,2,3-tetramethylpiperidin-4-yl)pentanal?
The InChIKey is OVJRKMUGNUESCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24F3NO/c1-9-10(5-6-18(4)14(9,2)3)7-11(15)13(17)12(16)8-19/h8-13H,5-7H2,1-4H3.
What are the key properties of 2,3,4-trifluoro-5-(1,2,2,3-tetramethylpiperidin-4-yl)pentanal?
2,3,4-trifluoro-5-(1,2,2,3-tetramethylpiperidin-4-yl)pentanal has a molecular weight of 279.35 g/mol, XLogP of 2.96, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4-trifluoro-5-(1,2,2,3-tetramethylpiperidin-4-yl)pentanal is sourced from PubChem (CID 175586102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).