4,4-difluoro-1-(3-methoxypropyl)piperidine

C9H17F2NO — CID 21035025

IUPAC4,4-difluoro-1-(3-methoxypropyl)piperidine
SMILESCOCCCN1CCC(F)(F)CC1
InChIInChI=1S/C9H17F2NO/c1-13-8-2-5-12-6-3-9(10,11)4-7-12/h2-8H2,1H3
InChIKeyQWVWMDGLIULVCI-UHFFFAOYSA-N
MW193.24 g/mol
LogP1.75
Rot. Bonds4

About 4,4-difluoro-1-(3-methoxypropyl)piperidine

4,4-difluoro-1-(3-methoxypropyl)piperidine (PubChem CID 21035025) has the molecular formula C9H17F2NO and a molecular weight of 193.24 g/mol. Its IUPAC name is 4,4-difluoro-1-(3-methoxypropyl)piperidine.

Molecular Properties

Compound Name4,4-difluoro-1-(3-methoxypropyl)piperidine
PubChem CID21035025
Molecular FormulaC9H17F2NO
Molecular Weight193.24 g/mol
Exact Mass193.13
IUPAC Name4,4-difluoro-1-(3-methoxypropyl)piperidine
SMILESCOCCCN1CCC(F)(F)CC1
InChIInChI=1S/C9H17F2NO/c1-13-8-2-5-12-6-3-9(10,11)4-7-12/h2-8H2,1H3
InChIKeyQWVWMDGLIULVCI-UHFFFAOYSA-N
XLogP1.75
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.24
LogP ≤ 51.75
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 4,4-difluoro-1-(3-methoxypropyl)piperidine?
The IUPAC name of 4,4-difluoro-1-(3-methoxypropyl)piperidine (CID 21035025) is 4,4-difluoro-1-(3-methoxypropyl)piperidine.
What is the SMILES notation for 4,4-difluoro-1-(3-methoxypropyl)piperidine?
The canonical SMILES for 4,4-difluoro-1-(3-methoxypropyl)piperidine is COCCCN1CCC(F)(F)CC1.
What is the InChIKey of 4,4-difluoro-1-(3-methoxypropyl)piperidine?
The InChIKey is QWVWMDGLIULVCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F2NO/c1-13-8-2-5-12-6-3-9(10,11)4-7-12/h2-8H2,1H3.
What are the key properties of 4,4-difluoro-1-(3-methoxypropyl)piperidine?
4,4-difluoro-1-(3-methoxypropyl)piperidine has a molecular weight of 193.24 g/mol, XLogP of 1.75, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoro-1-(3-methoxypropyl)piperidine is sourced from PubChem (CID 21035025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).