4-(4-hydroxy-3-methylpiperidin-1-yl)-2-(trifluoromethyl)benzaldehyde

C14H16F3NO2 — CID 114679029

IUPAC4-(4-hydroxy-3-methylpiperidin-1-yl)-2-(trifluoromethyl)benzaldehyde
SMILESCC1CN(c2ccc(C=O)c(C(F)(F)F)c2)CCC1O
InChIInChI=1S/C14H16F3NO2/c1-9-7-18(5-4-13(9)20)11-3-2-10(8-19)12(6-11)14(15,16)17/h2-3,6,8-9,13,20H,4-5,7H2,1H3
InChIKeyFLVLEEHUJJXLCL-UHFFFAOYSA-N
MW287.28 g/mol
LogP2.72
Rot. Bonds2

About 4-(4-hydroxy-3-methylpiperidin-1-yl)-2-(trifluoromethyl)benzaldehyde

4-(4-hydroxy-3-methylpiperidin-1-yl)-2-(trifluoromethyl)benzaldehyde (PubChem CID 114679029) has the molecular formula C14H16F3NO2 and a molecular weight of 287.28 g/mol. Its IUPAC name is 4-(4-hydroxy-3-methylpiperidin-1-yl)-2-(trifluoromethyl)benzaldehyde.

Molecular Properties

Compound Name4-(4-hydroxy-3-methylpiperidin-1-yl)-2-(trifluoromethyl)benzaldehyde
PubChem CID114679029
Molecular FormulaC14H16F3NO2
Molecular Weight287.28 g/mol
Exact Mass287.11
IUPAC Name4-(4-hydroxy-3-methylpiperidin-1-yl)-2-(trifluoromethyl)benzaldehyde
SMILESCC1CN(c2ccc(C=O)c(C(F)(F)F)c2)CCC1O
InChIInChI=1S/C14H16F3NO2/c1-9-7-18(5-4-13(9)20)11-3-2-10(8-19)12(6-11)14(15,16)17/h2-3,6,8-9,13,20H,4-5,7H2,1H3
InChIKeyFLVLEEHUJJXLCL-UHFFFAOYSA-N
XLogP2.72
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.28
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(4-propan-2-ylpiperidin-1-yl)-2-(trifluoromethyl)benzaldehyde
CID 103497692
1-[4-bromo-2-(trifluoromethyl)phenyl]-3-methylpiperidin-4-ol
CID 114680873
4-(4-propan-2-ylpiperazin-1-yl)-2-(trifluoromethyl)benzaldehyde
CID 79015786
4-(4,4-difluoropiperidin-1-yl)-2-(trifluoromethyl)benzaldehyde
CID 162393585
1-[5-bromo-2-(trifluoromethyl)phenyl]-3-methylpiperidin-4-ol
CID 107289828
4-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-2-(trifluoromethyl)benzaldehyde
CID 82752765
2-chloro-6-(4-hydroxy-3-methylpiperidin-1-yl)benzaldehyde
CID 114679035
3-methyl-1-[2-(trifluoromethylsulfonyl)phenyl]piperidin-4-ol
CID 114680817
4-(3-aminopyrrolidin-1-yl)-2-(trifluoromethyl)benzamide
CID 55029458
4-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-2-methylbenzaldehyde
CID 112626083
4-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-(trifluoromethyl)benzoic acid
CID 115560400
2-[1-[4-methyl-3-(trifluoromethyl)phenyl]piperidin-4-yl]ethanol
CID 71166795

Frequently Asked Questions

What is the IUPAC name of 4-(4-hydroxy-3-methylpiperidin-1-yl)-2-(trifluoromethyl)benzaldehyde?
The IUPAC name of 4-(4-hydroxy-3-methylpiperidin-1-yl)-2-(trifluoromethyl)benzaldehyde (CID 114679029) is 4-(4-hydroxy-3-methylpiperidin-1-yl)-2-(trifluoromethyl)benzaldehyde.
What is the SMILES notation for 4-(4-hydroxy-3-methylpiperidin-1-yl)-2-(trifluoromethyl)benzaldehyde?
The canonical SMILES for 4-(4-hydroxy-3-methylpiperidin-1-yl)-2-(trifluoromethyl)benzaldehyde is CC1CN(c2ccc(C=O)c(C(F)(F)F)c2)CCC1O.
What is the InChIKey of 4-(4-hydroxy-3-methylpiperidin-1-yl)-2-(trifluoromethyl)benzaldehyde?
The InChIKey is FLVLEEHUJJXLCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3NO2/c1-9-7-18(5-4-13(9)20)11-3-2-10(8-19)12(6-11)14(15,16)17/h2-3,6,8-9,13,20H,4-5,7H2,1H3.
What are the key properties of 4-(4-hydroxy-3-methylpiperidin-1-yl)-2-(trifluoromethyl)benzaldehyde?
4-(4-hydroxy-3-methylpiperidin-1-yl)-2-(trifluoromethyl)benzaldehyde has a molecular weight of 287.28 g/mol, XLogP of 2.72, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-hydroxy-3-methylpiperidin-1-yl)-2-(trifluoromethyl)benzaldehyde is sourced from PubChem (CID 114679029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).