2-fluoro-3-piperidin-3-ylpropanal

C8H14FNO — CID 105431224

IUPAC2-fluoro-3-piperidin-3-ylpropanal
SMILESO=CC(F)CC1CCCNC1
InChIInChI=1S/C8H14FNO/c9-8(6-11)4-7-2-1-3-10-5-7/h6-8,10H,1-5H2
InChIKeyLWBVKQLLDXNXHR-UHFFFAOYSA-N
MW159.20 g/mol
LogP0.91
Rot. Bonds3

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

2-fluoro-3-piperidin-3-ylpropanal (PubChem CID 105431224) has the molecular formula C8H14FNO and a molecular weight of 159.20 g/mol. Its IUPAC name is 2-fluoro-3-piperidin-3-ylpropanal.

Molecular Properties

Compound Name2-fluoro-3-piperidin-3-ylpropanal
PubChem CID105431224
Molecular FormulaC8H14FNO
Molecular Weight159.20 g/mol
Exact Mass159.11
IUPAC Name2-fluoro-3-piperidin-3-ylpropanal
SMILESO=CC(F)CC1CCCNC1
InChIInChI=1S/C8H14FNO/c9-8(6-11)4-7-2-1-3-10-5-7/h6-8,10H,1-5H2
InChIKeyLWBVKQLLDXNXHR-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'}

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Related Compounds

4-Piperidin-4-ylbutanal
CID 11840929
3-Piperidin-3-ylpropanoyl fluoride
CID 175322524
(3R,4R,5R)-5-[(1S)-1-fluoroethyl]piperidine-3,4-dicarbaldehyde
CID 90074972
3-Fluoropiperidine-3-carbaldehyde
CID 105427574
2-Fluoro-2-piperidin-3-ylacetaldehyde
CID 105428768
2-Fluoro-2-piperidin-4-ylacetaldehyde
CID 105428769
2-Fluoro-3-piperidin-4-ylpropanal
CID 105431225
2,2-Difluoro-2-piperidin-3-ylacetaldehyde
CID 105432001
2,2-Difluoro-2-piperidin-4-ylacetaldehyde
CID 105432002
2-Fluoro-3-(1-methylpiperidin-3-yl)propanal
CID 105435539
2,2-Difluoro-3-piperidin-3-ylpropanal
CID 105436769
2,2-Difluoro-3-piperidin-4-ylpropanal
CID 105436770

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3-piperidin-3-ylpropanal?
The IUPAC name of 2-fluoro-3-piperidin-3-ylpropanal (CID 105431224) is 2-fluoro-3-piperidin-3-ylpropanal.
What is the SMILES notation for 2-fluoro-3-piperidin-3-ylpropanal?
The canonical SMILES for 2-fluoro-3-piperidin-3-ylpropanal is O=CC(F)CC1CCCNC1.
What is the InChIKey of 2-fluoro-3-piperidin-3-ylpropanal?
The InChIKey is LWBVKQLLDXNXHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14FNO/c9-8(6-11)4-7-2-1-3-10-5-7/h6-8,10H,1-5H2.
What are the key properties of 2-fluoro-3-piperidin-3-ylpropanal?
2-fluoro-3-piperidin-3-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-3-ylpropanal is sourced from PubChem (CID 105431224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).