4-(4-propan-2-ylpiperidin-1-yl)-2-(trifluoromethyl)benzaldehyde

C16H20F3NO — CID 103497692

IUPAC4-(4-propan-2-ylpiperidin-1-yl)-2-(trifluoromethyl)benzaldehyde
SMILESCC(C)C1CCN(c2ccc(C=O)c(C(F)(F)F)c2)CC1
InChIInChI=1S/C16H20F3NO/c1-11(2)12-5-7-20(8-6-12)14-4-3-13(10-21)15(9-14)16(17,18)19/h3-4,9-12H,5-8H2,1-2H3
InChIKeyIGLIHNHNEBFOTM-UHFFFAOYSA-N
MW299.34 g/mol
LogP4.39
Rot. Bonds3

About 4-(4-propan-2-ylpiperidin-1-yl)-2-(trifluoromethyl)benzaldehyde

4-(4-propan-2-ylpiperidin-1-yl)-2-(trifluoromethyl)benzaldehyde (PubChem CID 103497692) has the molecular formula C16H20F3NO and a molecular weight of 299.34 g/mol. Its IUPAC name is 4-(4-propan-2-ylpiperidin-1-yl)-2-(trifluoromethyl)benzaldehyde.

Molecular Properties

Compound Name4-(4-propan-2-ylpiperidin-1-yl)-2-(trifluoromethyl)benzaldehyde
PubChem CID103497692
Molecular FormulaC16H20F3NO
Molecular Weight299.34 g/mol
Exact Mass299.15
IUPAC Name4-(4-propan-2-ylpiperidin-1-yl)-2-(trifluoromethyl)benzaldehyde
SMILESCC(C)C1CCN(c2ccc(C=O)c(C(F)(F)F)c2)CC1
InChIInChI=1S/C16H20F3NO/c1-11(2)12-5-7-20(8-6-12)14-4-3-13(10-21)15(9-14)16(17,18)19/h3-4,9-12H,5-8H2,1-2H3
InChIKeyIGLIHNHNEBFOTM-UHFFFAOYSA-N
XLogP4.39
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.34
LogP ≤ 54.39
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

4-(Dimethylamino)Benzaldehyde
CID 7479
4-(Diethylamino)benzaldehyde
CID 67114
1-[3-Fluoro-4-(piperidin-1-yl)phenyl]ethan-1-one
CID 775592
4-(4-Methylpiperazin-1-yl)benzaldehyde
CID 736533
4-N,N-Bis(2-chloroethyl)amino-2-tolualdehyde
CID 141295
4-(Piperidin-1-yl)benzaldehyde
CID 291354
4-(Dipropylamino)benzaldehyde
CID 69171
4-(1,3-dihydro-2H-isoindol-2-yl)-2-methylbenzaldehyde
CID 807474
4'-Piperidinoacetophenone
CID 82561
4-[Ethyl(phenylmethyl)amino]benzaldehyde
CID 282269
3-(Ethyl(4-formyl-3-methylphenyl)amino)propiononitrile
CID 67078
1-[3-Fluoro-4-(piperidin-1-yl)phenyl]propan-1-one
CID 609956

Frequently Asked Questions

What is the IUPAC name of 4-(4-propan-2-ylpiperidin-1-yl)-2-(trifluoromethyl)benzaldehyde?
The IUPAC name of 4-(4-propan-2-ylpiperidin-1-yl)-2-(trifluoromethyl)benzaldehyde (CID 103497692) is 4-(4-propan-2-ylpiperidin-1-yl)-2-(trifluoromethyl)benzaldehyde.
What is the SMILES notation for 4-(4-propan-2-ylpiperidin-1-yl)-2-(trifluoromethyl)benzaldehyde?
The canonical SMILES for 4-(4-propan-2-ylpiperidin-1-yl)-2-(trifluoromethyl)benzaldehyde is CC(C)C1CCN(c2ccc(C=O)c(C(F)(F)F)c2)CC1.
What is the InChIKey of 4-(4-propan-2-ylpiperidin-1-yl)-2-(trifluoromethyl)benzaldehyde?
The InChIKey is IGLIHNHNEBFOTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F3NO/c1-11(2)12-5-7-20(8-6-12)14-4-3-13(10-21)15(9-14)16(17,18)19/h3-4,9-12H,5-8H2,1-2H3.
What are the key properties of 4-(4-propan-2-ylpiperidin-1-yl)-2-(trifluoromethyl)benzaldehyde?
4-(4-propan-2-ylpiperidin-1-yl)-2-(trifluoromethyl)benzaldehyde has a molecular weight of 299.34 g/mol, XLogP of 4.39, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-propan-2-ylpiperidin-1-yl)-2-(trifluoromethyl)benzaldehyde is sourced from PubChem (CID 103497692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).