1-ethyl-4-fluoropiperidine-4-carbaldehyde

C8H14FNO — CID 142583575

IUPAC1-ethyl-4-fluoropiperidine-4-carbaldehyde
SMILESCCN1CCC(F)(C=O)CC1
InChIInChI=1S/C8H14FNO/c1-2-10-5-3-8(9,7-11)4-6-10/h7H,2-6H2,1H3
InChIKeyLYGBHWXPBVAXSE-UHFFFAOYSA-N
MW159.20 g/mol
LogP1.01
Rot. Bonds2

About 1-ethyl-4-fluoropiperidine-4-carbaldehyde

1-ethyl-4-fluoropiperidine-4-carbaldehyde (PubChem CID 142583575) has the molecular formula C8H14FNO and a molecular weight of 159.20 g/mol. Its IUPAC name is 1-ethyl-4-fluoropiperidine-4-carbaldehyde.

Molecular Properties

Compound Name1-ethyl-4-fluoropiperidine-4-carbaldehyde
PubChem CID142583575
Molecular FormulaC8H14FNO
Molecular Weight159.20 g/mol
Exact Mass159.11
IUPAC Name1-ethyl-4-fluoropiperidine-4-carbaldehyde
SMILESCCN1CCC(F)(C=O)CC1
InChIInChI=1S/C8H14FNO/c1-2-10-5-3-8(9,7-11)4-6-10/h7H,2-6H2,1H3
InChIKeyLYGBHWXPBVAXSE-UHFFFAOYSA-N
XLogP1.01
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.20
LogP ≤ 51.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-ethyl-4-fluoropiperidine-4-carbaldehyde 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

1-Methylpiperidine-4-carbaldehyde
CID 12535228
(1-Methylpiperidin-4-yl)acetaldehyde
CID 21666286
1-Ethylpiperidine-4-carbaldehyde
CID 20613249
1-(2,2-Dimethylpropyl)piperidine-4-carbaldehyde
CID 59337716
1-(2-Methylpropyl)piperidine-4-carbaldehyde
CID 62655908
1-(Cyclopropylmethyl)piperidine-4-carbaldehyde
CID 62656102
1-[2-(Diethylamino)ethyl]piperidine-4-carbaldehyde
CID 62654444
1-[2-(Dimethylamino)ethyl]piperidine-4-carbaldehyde
CID 62655186
1-(Cyclobutylmethyl)piperidine-4-carbaldehyde
CID 65461855
1-(Pentan-3-yl)piperidine-4-carbaldehyde
CID 80098853
1-(2,2,2-Trifluoroethyl)piperidine-4-carbaldehyde
CID 62654280
1-(Difluoromethyl)piperidine-4-carbaldehyde
CID 62656642

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-fluoropiperidine-4-carbaldehyde?
The IUPAC name of 1-ethyl-4-fluoropiperidine-4-carbaldehyde (CID 142583575) is 1-ethyl-4-fluoropiperidine-4-carbaldehyde.
What is the SMILES notation for 1-ethyl-4-fluoropiperidine-4-carbaldehyde?
The canonical SMILES for 1-ethyl-4-fluoropiperidine-4-carbaldehyde is CCN1CCC(F)(C=O)CC1.
What is the InChIKey of 1-ethyl-4-fluoropiperidine-4-carbaldehyde?
The InChIKey is LYGBHWXPBVAXSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14FNO/c1-2-10-5-3-8(9,7-11)4-6-10/h7H,2-6H2,1H3.
What are the key properties of 1-ethyl-4-fluoropiperidine-4-carbaldehyde?
1-ethyl-4-fluoropiperidine-4-carbaldehyde has a molecular weight of 159.20 g/mol, XLogP of 1.01, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-fluoropiperidine-4-carbaldehyde is sourced from PubChem (CID 142583575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).