3-[2-(3-fluoropropoxy)ethyl]piperidine

C10H20FNO — CID 81114704

IUPAC3-[2-(3-fluoropropoxy)ethyl]piperidine
SMILESFCCCOCCC1CCCNC1
InChIInChI=1S/C10H20FNO/c11-5-2-7-13-8-4-10-3-1-6-12-9-10/h10,12H,1-9H2
InChIKeyLYUGGJUHLGIMKS-UHFFFAOYSA-N
MW189.27 g/mol
LogP1.75
Rot. Bonds6

About 3-[2-(3-fluoropropoxy)ethyl]piperidine

3-[2-(3-fluoropropoxy)ethyl]piperidine (PubChem CID 81114704) has the molecular formula C10H20FNO and a molecular weight of 189.27 g/mol. Its IUPAC name is 3-[2-(3-fluoropropoxy)ethyl]piperidine.

Molecular Properties

Compound Name3-[2-(3-fluoropropoxy)ethyl]piperidine
PubChem CID81114704
Molecular FormulaC10H20FNO
Molecular Weight189.27 g/mol
Exact Mass189.15
IUPAC Name3-[2-(3-fluoropropoxy)ethyl]piperidine
SMILESFCCCOCCC1CCCNC1
InChIInChI=1S/C10H20FNO/c11-5-2-7-13-8-4-10-3-1-6-12-9-10/h10,12H,1-9H2
InChIKeyLYUGGJUHLGIMKS-UHFFFAOYSA-N
XLogP1.75
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.27
LogP ≤ 51.75
H-Bond Donors ≤ 51
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 3-[2-(3-fluoropropoxy)ethyl]piperidine?
The IUPAC name of 3-[2-(3-fluoropropoxy)ethyl]piperidine (CID 81114704) is 3-[2-(3-fluoropropoxy)ethyl]piperidine.
What is the SMILES notation for 3-[2-(3-fluoropropoxy)ethyl]piperidine?
The canonical SMILES for 3-[2-(3-fluoropropoxy)ethyl]piperidine is FCCCOCCC1CCCNC1.
What is the InChIKey of 3-[2-(3-fluoropropoxy)ethyl]piperidine?
The InChIKey is LYUGGJUHLGIMKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20FNO/c11-5-2-7-13-8-4-10-3-1-6-12-9-10/h10,12H,1-9H2.
What are the key properties of 3-[2-(3-fluoropropoxy)ethyl]piperidine?
3-[2-(3-fluoropropoxy)ethyl]piperidine has a molecular weight of 189.27 g/mol, XLogP of 1.75, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3-fluoropropoxy)ethyl]piperidine is sourced from PubChem (CID 81114704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).