3-ethyl-4-(4-fluorophenyl)piperidine-1-carbaldehyde

C14H18FNO — CID 59079044

IUPAC3-ethyl-4-(4-fluorophenyl)piperidine-1-carbaldehyde
SMILESCCC1CN(C=O)CCC1c1ccc(F)cc1
InChIInChI=1S/C14H18FNO/c1-2-11-9-16(10-17)8-7-14(11)12-3-5-13(15)6-4-12/h3-6,10-11,14H,2,7-9H2,1H3
InChIKeyNHQYNIQAFQJJIB-UHFFFAOYSA-N
MW235.30 g/mol
LogP2.80
Rot. Bonds3

About 3-ethyl-4-(4-fluorophenyl)piperidine-1-carbaldehyde

3-ethyl-4-(4-fluorophenyl)piperidine-1-carbaldehyde (PubChem CID 59079044) has the molecular formula C14H18FNO and a molecular weight of 235.30 g/mol. Its IUPAC name is 3-ethyl-4-(4-fluorophenyl)piperidine-1-carbaldehyde.

Molecular Properties

Compound Name3-ethyl-4-(4-fluorophenyl)piperidine-1-carbaldehyde
PubChem CID59079044
Molecular FormulaC14H18FNO
Molecular Weight235.30 g/mol
Exact Mass235.14
IUPAC Name3-ethyl-4-(4-fluorophenyl)piperidine-1-carbaldehyde
SMILESCCC1CN(C=O)CCC1c1ccc(F)cc1
InChIInChI=1S/C14H18FNO/c1-2-11-9-16(10-17)8-7-14(11)12-3-5-13(15)6-4-12/h3-6,10-11,14H,2,7-9H2,1H3
InChIKeyNHQYNIQAFQJJIB-UHFFFAOYSA-N
XLogP2.80
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.30
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3-ethyl-4-(4-fluorophenyl)piperidine-1-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-[3-amino-4-(4-fluorophenyl)piperidin-1-yl]propan-1-one
CID 165441048
(3S,4R)-3-(benzenesulfonylmethyl)-4-(4-fluorophenyl)-1-pentylpiperidine
CID 70364796
3-(1,3-benzodioxol-5-yloxymethyl)-4-(4-fluorophenyl)piperidine;3-(1,3-benzodioxol-5-yloxymethyl)-4-(4-fluorophenyl)piperidine-1-carbaldehyde;methanesulfonic acid
CID 160551476
2-[(3S,4R)-4-(4-fluorophenyl)-1-methylpyrrolidin-3-yl]acetaldehyde
CID 54322147
2-[(3R,4R)-3-ethyl-4-phenylpiperidin-1-yl]acetic acid
CID 129434571
3-(4-fluorophenyl)sulfinylpyrrolidine-1-carbaldehyde
CID 134373892
prop-2-enyl (3R,4S)-4-(4-fluorophenyl)-3-(hydroxymethyl)piperidine-1-carboxylate
CID 11011830
[(3S,4R)-4-(4-fluorophenyl)-1-methylpiperidin-3-yl]methyl benzenesulfonate
CID 11371944
ethyl 4-(4-fluorophenyl)-1-methylpiperidine-3-carboxylate
CID 10978362
(2S)-2-[(3S,4S)-3-ethyl-4-phenylpiperidin-1-yl]propanoic acid
CID 124683616
(3S,4S)-1-cyclobutyl-3-ethyl-4-phenylpiperidine
CID 134203274
3-[4-(2,5-difluoroanilino)-5-methyl-6-sulfanylidene-1H-pyridin-3-yl]-4-(4-fluorophenyl)piperidine-1-carbaldehyde
CID 118412273

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4-(4-fluorophenyl)piperidine-1-carbaldehyde?
The IUPAC name of 3-ethyl-4-(4-fluorophenyl)piperidine-1-carbaldehyde (CID 59079044) is 3-ethyl-4-(4-fluorophenyl)piperidine-1-carbaldehyde.
What is the SMILES notation for 3-ethyl-4-(4-fluorophenyl)piperidine-1-carbaldehyde?
The canonical SMILES for 3-ethyl-4-(4-fluorophenyl)piperidine-1-carbaldehyde is CCC1CN(C=O)CCC1c1ccc(F)cc1.
What is the InChIKey of 3-ethyl-4-(4-fluorophenyl)piperidine-1-carbaldehyde?
The InChIKey is NHQYNIQAFQJJIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO/c1-2-11-9-16(10-17)8-7-14(11)12-3-5-13(15)6-4-12/h3-6,10-11,14H,2,7-9H2,1H3.
What are the key properties of 3-ethyl-4-(4-fluorophenyl)piperidine-1-carbaldehyde?
3-ethyl-4-(4-fluorophenyl)piperidine-1-carbaldehyde has a molecular weight of 235.30 g/mol, XLogP of 2.80, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4-(4-fluorophenyl)piperidine-1-carbaldehyde is sourced from PubChem (CID 59079044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).