3-ethyl-4-(2-fluoroethyl)piperidine-1-carbaldehyde

C10H18FNO — CID 143016299

IUPAC3-ethyl-4-(2-fluoroethyl)piperidine-1-carbaldehyde
SMILESCCC1CN(C=O)CCC1CCF
InChIInChI=1S/C10H18FNO/c1-2-9-7-12(8-13)6-4-10(9)3-5-11/h8-10H,2-7H2,1H3
InChIKeyNROHHAMRUKVOHZ-UHFFFAOYSA-N
MW187.26 g/mol
LogP1.85
Rot. Bonds4

About 3-ethyl-4-(2-fluoroethyl)piperidine-1-carbaldehyde

3-ethyl-4-(2-fluoroethyl)piperidine-1-carbaldehyde (PubChem CID 143016299) has the molecular formula C10H18FNO and a molecular weight of 187.26 g/mol. Its IUPAC name is 3-ethyl-4-(2-fluoroethyl)piperidine-1-carbaldehyde.

Molecular Properties

Compound Name3-ethyl-4-(2-fluoroethyl)piperidine-1-carbaldehyde
PubChem CID143016299
Molecular FormulaC10H18FNO
Molecular Weight187.26 g/mol
Exact Mass187.14
IUPAC Name3-ethyl-4-(2-fluoroethyl)piperidine-1-carbaldehyde
SMILESCCC1CN(C=O)CCC1CCF
InChIInChI=1S/C10H18FNO/c1-2-9-7-12(8-13)6-4-10(9)3-5-11/h8-10H,2-7H2,1H3
InChIKeyNROHHAMRUKVOHZ-UHFFFAOYSA-N
XLogP1.85
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.26
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4-(2-fluoroethyl)piperidine-1-carbaldehyde?
The IUPAC name of 3-ethyl-4-(2-fluoroethyl)piperidine-1-carbaldehyde (CID 143016299) is 3-ethyl-4-(2-fluoroethyl)piperidine-1-carbaldehyde.
What is the SMILES notation for 3-ethyl-4-(2-fluoroethyl)piperidine-1-carbaldehyde?
The canonical SMILES for 3-ethyl-4-(2-fluoroethyl)piperidine-1-carbaldehyde is CCC1CN(C=O)CCC1CCF.
What is the InChIKey of 3-ethyl-4-(2-fluoroethyl)piperidine-1-carbaldehyde?
The InChIKey is NROHHAMRUKVOHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18FNO/c1-2-9-7-12(8-13)6-4-10(9)3-5-11/h8-10H,2-7H2,1H3.
What are the key properties of 3-ethyl-4-(2-fluoroethyl)piperidine-1-carbaldehyde?
3-ethyl-4-(2-fluoroethyl)piperidine-1-carbaldehyde has a molecular weight of 187.26 g/mol, XLogP of 1.85, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4-(2-fluoroethyl)piperidine-1-carbaldehyde is sourced from PubChem (CID 143016299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).