4-(2-fluoropropan-2-yl)piperidine-4-carbaldehyde

C9H16FNO — CID 84766495

IUPAC4-(2-fluoropropan-2-yl)piperidine-4-carbaldehyde
SMILESCC(C)(F)C1(C=O)CCNCC1
InChIInChI=1S/C9H16FNO/c1-8(2,10)9(7-12)3-5-11-6-4-9/h7,11H,3-6H2,1-2H3
InChIKeyUSKKEICRTVKJDP-UHFFFAOYSA-N
MW173.23 g/mol
LogP1.30
Rot. Bonds2

About 4-(2-fluoropropan-2-yl)piperidine-4-carbaldehyde

4-(2-fluoropropan-2-yl)piperidine-4-carbaldehyde (PubChem CID 84766495) has the molecular formula C9H16FNO and a molecular weight of 173.23 g/mol. Its IUPAC name is 4-(2-fluoropropan-2-yl)piperidine-4-carbaldehyde.

Molecular Properties

Compound Name4-(2-fluoropropan-2-yl)piperidine-4-carbaldehyde
PubChem CID84766495
Molecular FormulaC9H16FNO
Molecular Weight173.23 g/mol
Exact Mass173.12
IUPAC Name4-(2-fluoropropan-2-yl)piperidine-4-carbaldehyde
SMILESCC(C)(F)C1(C=O)CCNCC1
InChIInChI=1S/C9H16FNO/c1-8(2,10)9(7-12)3-5-11-6-4-9/h7,11H,3-6H2,1-2H3
InChIKeyUSKKEICRTVKJDP-UHFFFAOYSA-N
XLogP1.30
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.23
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-Fluoropiperidine-4-carbaldehyde
CID 105427575
(3R,4S)-3-fluoro-1-methyl-3-(methylaminomethyl)piperidine-4-carbaldehyde
CID 167108431
4-(2-Fluoropropan-2-yl)piperidine-4-carboxamide
CID 84074697
4-(Fluoromethyl)piperidine-4-carbaldehyde
CID 84762887
4-(Difluoromethyl)piperidine-4-carbaldehyde
CID 84764567
4-(1,1-Difluoroethyl)piperidine-4-carbaldehyde
CID 84767288
4-(2-Fluoropropan-2-yl)-1-methylpiperidine-4-carbaldehyde
CID 84770495
4-(Trifluoromethyl)piperidine-4-carbaldehyde
CID 165910760
2-(3,3,5,5-Tetramethylpiperidin-4-yl)acetaldehyde
CID 19990119
4-Methylpiperidine-4-carbaldehyde;hydrobromide
CID 20262409
4-Methylpiperidine-4-carbaldehyde
CID 20262410
2-(4-Methylpiperidin-4-yl)acetaldehyde
CID 59311929

Frequently Asked Questions

What is the IUPAC name of 4-(2-fluoropropan-2-yl)piperidine-4-carbaldehyde?
The IUPAC name of 4-(2-fluoropropan-2-yl)piperidine-4-carbaldehyde (CID 84766495) is 4-(2-fluoropropan-2-yl)piperidine-4-carbaldehyde.
What is the SMILES notation for 4-(2-fluoropropan-2-yl)piperidine-4-carbaldehyde?
The canonical SMILES for 4-(2-fluoropropan-2-yl)piperidine-4-carbaldehyde is CC(C)(F)C1(C=O)CCNCC1.
What is the InChIKey of 4-(2-fluoropropan-2-yl)piperidine-4-carbaldehyde?
The InChIKey is USKKEICRTVKJDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16FNO/c1-8(2,10)9(7-12)3-5-11-6-4-9/h7,11H,3-6H2,1-2H3.
What are the key properties of 4-(2-fluoropropan-2-yl)piperidine-4-carbaldehyde?
4-(2-fluoropropan-2-yl)piperidine-4-carbaldehyde has a molecular weight of 173.23 g/mol, XLogP of 1.30, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluoropropan-2-yl)piperidine-4-carbaldehyde is sourced from PubChem (CID 84766495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).