2-fluoro-3-piperidin-4-ylpropanal

C8H14FNO — CID 105431225

IUPAC2-fluoro-3-piperidin-4-ylpropanal
SMILESO=CC(F)CC1CCNCC1
InChIInChI=1S/C8H14FNO/c9-8(6-11)5-7-1-3-10-4-2-7/h6-8,10H,1-5H2
InChIKeyTXJIADBKLXPLSQ-UHFFFAOYSA-N
MW159.20 g/mol
LogP0.91
Rot. Bonds3

About 2-fluoro-3-piperidin-4-ylpropanal

2-fluoro-3-piperidin-4-ylpropanal (PubChem CID 105431225) has the molecular formula C8H14FNO and a molecular weight of 159.20 g/mol. Its IUPAC name is 2-fluoro-3-piperidin-4-ylpropanal.

Molecular Properties

Compound Name2-fluoro-3-piperidin-4-ylpropanal
PubChem CID105431225
Molecular FormulaC8H14FNO
Molecular Weight159.20 g/mol
Exact Mass159.11
IUPAC Name2-fluoro-3-piperidin-4-ylpropanal
SMILESO=CC(F)CC1CCNCC1
InChIInChI=1S/C8H14FNO/c9-8(6-11)5-7-1-3-10-4-2-7/h6-8,10H,1-5H2
InChIKeyTXJIADBKLXPLSQ-UHFFFAOYSA-N
XLogP0.91
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.20
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-fluoro-3-piperidin-4-ylpropanal with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-Piperidin-4-ylbutanal
CID 11840929
4-Piperidineacetaldehyde
CID 23401441
4-Fluoropiperidine-4-carbaldehyde
CID 105427575
(2R,4S)-2-(trifluoromethyl)piperidine-4-carbaldehyde
CID 118902444
2-(Trifluoromethyl)piperidine-4-carbaldehyde
CID 118902455
4-Piperidinecarboxaldehyde, 3-fluoro-
CID 130893851
6-(Methylamino)-4-(trifluoromethyl)hexanal
CID 144206770
Methanamine;3-(trifluoromethyl)piperidine-2-carbaldehyde
CID 144773727
3-(1-Fluoropiperidin-4-yl)propanal
CID 145353941
(3R)-3-(trifluoromethyl)piperidine-2-carbaldehyde
CID 169961235
(3R,4S)-3-fluoropiperidine-4-carbaldehyde
CID 171080186
2-(Trifluoromethyl)piperidine-3-carbaldehyde
CID 174302432

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3-piperidin-4-ylpropanal?
The IUPAC name of 2-fluoro-3-piperidin-4-ylpropanal (CID 105431225) is 2-fluoro-3-piperidin-4-ylpropanal.
What is the SMILES notation for 2-fluoro-3-piperidin-4-ylpropanal?
The canonical SMILES for 2-fluoro-3-piperidin-4-ylpropanal is O=CC(F)CC1CCNCC1.
What is the InChIKey of 2-fluoro-3-piperidin-4-ylpropanal?
The InChIKey is TXJIADBKLXPLSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14FNO/c9-8(6-11)5-7-1-3-10-4-2-7/h6-8,10H,1-5H2.
What are the key properties of 2-fluoro-3-piperidin-4-ylpropanal?
2-fluoro-3-piperidin-4-ylpropanal has a molecular weight of 159.20 g/mol, XLogP of 0.91, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3-piperidin-4-ylpropanal is sourced from PubChem (CID 105431225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).