1-(3-ethoxypropyl)-4-fluoro-4-methylpiperidine

C11H22FNO — CID 147932437

IUPAC1-(3-ethoxypropyl)-4-fluoro-4-methylpiperidine
SMILESCCOCCCN1CCC(C)(F)CC1
InChIInChI=1S/C11H22FNO/c1-3-14-10-4-7-13-8-5-11(2,12)6-9-13/h3-10H2,1-2H3
InChIKeyIKDCYKYKCYYFAO-UHFFFAOYSA-N
MW203.30 g/mol
LogP2.24
Rot. Bonds5

About 1-(3-ethoxypropyl)-4-fluoro-4-methylpiperidine

1-(3-ethoxypropyl)-4-fluoro-4-methylpiperidine (PubChem CID 147932437) has the molecular formula C11H22FNO and a molecular weight of 203.30 g/mol. Its IUPAC name is 1-(3-ethoxypropyl)-4-fluoro-4-methylpiperidine.

Molecular Properties

Compound Name1-(3-ethoxypropyl)-4-fluoro-4-methylpiperidine
PubChem CID147932437
Molecular FormulaC11H22FNO
Molecular Weight203.30 g/mol
Exact Mass203.17
IUPAC Name1-(3-ethoxypropyl)-4-fluoro-4-methylpiperidine
SMILESCCOCCCN1CCC(C)(F)CC1
InChIInChI=1S/C11H22FNO/c1-3-14-10-4-7-13-8-5-11(2,12)6-9-13/h3-10H2,1-2H3
InChIKeyIKDCYKYKCYYFAO-UHFFFAOYSA-N
XLogP2.24
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.30
LogP ≤ 52.24
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-fluoro-4-methylpiperidine?
The IUPAC name of 1-(3-ethoxypropyl)-4-fluoro-4-methylpiperidine (CID 147932437) is 1-(3-ethoxypropyl)-4-fluoro-4-methylpiperidine.
What is the SMILES notation for 1-(3-ethoxypropyl)-4-fluoro-4-methylpiperidine?
The canonical SMILES for 1-(3-ethoxypropyl)-4-fluoro-4-methylpiperidine is CCOCCCN1CCC(C)(F)CC1.
What is the InChIKey of 1-(3-ethoxypropyl)-4-fluoro-4-methylpiperidine?
The InChIKey is IKDCYKYKCYYFAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22FNO/c1-3-14-10-4-7-13-8-5-11(2,12)6-9-13/h3-10H2,1-2H3.
What are the key properties of 1-(3-ethoxypropyl)-4-fluoro-4-methylpiperidine?
1-(3-ethoxypropyl)-4-fluoro-4-methylpiperidine has a molecular weight of 203.30 g/mol, XLogP of 2.24, 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-fluoro-4-methylpiperidine is sourced from PubChem (CID 147932437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).