2-(1-ethylpiperidin-3-yl)-2-fluoroacetaldehyde

C9H16FNO — CID 105435537

IUPAC2-(1-ethylpiperidin-3-yl)-2-fluoroacetaldehyde
SMILESCCN1CCCC(C(F)C=O)C1
InChIInChI=1S/C9H16FNO/c1-2-11-5-3-4-8(6-11)9(10)7-12/h7-9H,2-6H2,1H3
InChIKeyOVUKXKYMTXKGNA-UHFFFAOYSA-N
MW173.23 g/mol
LogP1.26
Rot. Bonds3

About 2-(1-ethylpiperidin-3-yl)-2-fluoroacetaldehyde

2-(1-ethylpiperidin-3-yl)-2-fluoroacetaldehyde (PubChem CID 105435537) has the molecular formula C9H16FNO and a molecular weight of 173.23 g/mol. Its IUPAC name is 2-(1-ethylpiperidin-3-yl)-2-fluoroacetaldehyde.

Molecular Properties

Compound Name2-(1-ethylpiperidin-3-yl)-2-fluoroacetaldehyde
PubChem CID105435537
Molecular FormulaC9H16FNO
Molecular Weight173.23 g/mol
Exact Mass173.12
IUPAC Name2-(1-ethylpiperidin-3-yl)-2-fluoroacetaldehyde
SMILESCCN1CCCC(C(F)C=O)C1
InChIInChI=1S/C9H16FNO/c1-2-11-5-3-4-8(6-11)9(10)7-12/h7-9H,2-6H2,1H3
InChIKeyOVUKXKYMTXKGNA-UHFFFAOYSA-N
XLogP1.26
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.23
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(1-ethylpiperidin-3-yl)-2-fluoroacetaldehyde 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-Ethylpiperidine-4-carbaldehyde
CID 20613249
1-(2,2-Dimethylpropyl)piperidine-4-carbaldehyde
CID 59337716
1-(2-Methylpropyl)piperidine-4-carbaldehyde
CID 62655908
1-(2,2-Difluoropropyl)piperidine-4-carbaldehyde
CID 84663158
4-Fluoro-1-methylpiperidine-4-carbaldehyde
CID 117889591
1-Tert-butyl-4-fluoropiperidine-4-carbaldehyde
CID 122641096
(2S)-2-(1-tert-butylpiperidin-4-yl)-2-fluoroacetaldehyde
CID 126752432
4-(4,4-Difluoropiperidin-1-yl)-2-methylbutanal
CID 138474566
4-Fluoro-1-(2-methylpropyl)piperidine-4-carbaldehyde
CID 142584248
2-(1-Fluoropiperidin-3-yl)acetaldehyde
CID 145353916
3-(1-Fluoropiperidin-4-yl)propanal
CID 145353941
2-Methyl-4-[4-(trifluoromethyl)piperidin-1-yl]butanal
CID 146588104

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethylpiperidin-3-yl)-2-fluoroacetaldehyde?
The IUPAC name of 2-(1-ethylpiperidin-3-yl)-2-fluoroacetaldehyde (CID 105435537) is 2-(1-ethylpiperidin-3-yl)-2-fluoroacetaldehyde.
What is the SMILES notation for 2-(1-ethylpiperidin-3-yl)-2-fluoroacetaldehyde?
The canonical SMILES for 2-(1-ethylpiperidin-3-yl)-2-fluoroacetaldehyde is CCN1CCCC(C(F)C=O)C1.
What is the InChIKey of 2-(1-ethylpiperidin-3-yl)-2-fluoroacetaldehyde?
The InChIKey is OVUKXKYMTXKGNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16FNO/c1-2-11-5-3-4-8(6-11)9(10)7-12/h7-9H,2-6H2,1H3.
What are the key properties of 2-(1-ethylpiperidin-3-yl)-2-fluoroacetaldehyde?
2-(1-ethylpiperidin-3-yl)-2-fluoroacetaldehyde has a molecular weight of 173.23 g/mol, XLogP of 1.26, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethylpiperidin-3-yl)-2-fluoroacetaldehyde is sourced from PubChem (CID 105435537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).