1-(3-ethoxypropyl)-4-fluoropiperidine

C10H20FNO — CID 146393734

IUPAC1-(3-ethoxypropyl)-4-fluoropiperidine
SMILESCCOCCCN1CCC(F)CC1
InChIInChI=1S/C10H20FNO/c1-2-13-9-3-6-12-7-4-10(11)5-8-12/h10H,2-9H2,1H3
InChIKeyWLHJFNILDJCWCN-UHFFFAOYSA-N
MW189.27 g/mol
LogP1.85
Rot. Bonds5

About 1-(3-ethoxypropyl)-4-fluoropiperidine

1-(3-ethoxypropyl)-4-fluoropiperidine (PubChem CID 146393734) has the molecular formula C10H20FNO and a molecular weight of 189.27 g/mol. Its IUPAC name is 1-(3-ethoxypropyl)-4-fluoropiperidine.

Molecular Properties

Compound Name1-(3-ethoxypropyl)-4-fluoropiperidine
PubChem CID146393734
Molecular FormulaC10H20FNO
Molecular Weight189.27 g/mol
Exact Mass189.15
IUPAC Name1-(3-ethoxypropyl)-4-fluoropiperidine
SMILESCCOCCCN1CCC(F)CC1
InChIInChI=1S/C10H20FNO/c1-2-13-9-3-6-12-7-4-10(11)5-8-12/h10H,2-9H2,1H3
InChIKeyWLHJFNILDJCWCN-UHFFFAOYSA-N
XLogP1.85
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.27
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(3-ethoxypropyl)-4-fluoropiperidine?
The IUPAC name of 1-(3-ethoxypropyl)-4-fluoropiperidine (CID 146393734) is 1-(3-ethoxypropyl)-4-fluoropiperidine.
What is the SMILES notation for 1-(3-ethoxypropyl)-4-fluoropiperidine?
The canonical SMILES for 1-(3-ethoxypropyl)-4-fluoropiperidine is CCOCCCN1CCC(F)CC1.
What is the InChIKey of 1-(3-ethoxypropyl)-4-fluoropiperidine?
The InChIKey is WLHJFNILDJCWCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20FNO/c1-2-13-9-3-6-12-7-4-10(11)5-8-12/h10H,2-9H2,1H3.
What are the key properties of 1-(3-ethoxypropyl)-4-fluoropiperidine?
1-(3-ethoxypropyl)-4-fluoropiperidine has a molecular weight of 189.27 g/mol, XLogP of 1.85, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethoxypropyl)-4-fluoropiperidine is sourced from PubChem (CID 146393734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).