1-ethyl-4-fluoro-4-(propan-2-yloxymethyl)piperidine

C11H22FNO — CID 58303663

IUPAC1-ethyl-4-fluoro-4-(propan-2-yloxymethyl)piperidine
SMILESCCN1CCC(F)(COC(C)C)CC1
InChIInChI=1S/C11H22FNO/c1-4-13-7-5-11(12,6-8-13)9-14-10(2)3/h10H,4-9H2,1-3H3
InChIKeyPPTGDMIZLOWFBB-UHFFFAOYSA-N
MW203.30 g/mol
LogP2.24
Rot. Bonds4

About 1-ethyl-4-fluoro-4-(propan-2-yloxymethyl)piperidine

1-ethyl-4-fluoro-4-(propan-2-yloxymethyl)piperidine (PubChem CID 58303663) has the molecular formula C11H22FNO and a molecular weight of 203.30 g/mol. Its IUPAC name is 1-ethyl-4-fluoro-4-(propan-2-yloxymethyl)piperidine.

Molecular Properties

Compound Name1-ethyl-4-fluoro-4-(propan-2-yloxymethyl)piperidine
PubChem CID58303663
Molecular FormulaC11H22FNO
Molecular Weight203.30 g/mol
Exact Mass203.17
IUPAC Name1-ethyl-4-fluoro-4-(propan-2-yloxymethyl)piperidine
SMILESCCN1CCC(F)(COC(C)C)CC1
InChIInChI=1S/C11H22FNO/c1-4-13-7-5-11(12,6-8-13)9-14-10(2)3/h10H,4-9H2,1-3H3
InChIKeyPPTGDMIZLOWFBB-UHFFFAOYSA-N
XLogP2.24
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
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

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Related Compounds

4-[Ethoxy(difluoro)methyl]-1-ethylpiperidine
CID 20723957
4-Fluoro-4-(methoxymethyl)-1-methylpiperidine
CID 57580403
4-Fluoro-1-(2-fluoroethyl)-4-(propan-2-yloxymethyl)piperidine
CID 58303633
2-[4-Fluoro-4-(propan-2-yloxymethyl)piperidin-1-yl]ethanol
CID 58303746
1-(3-Fluoropropyl)-4-[(2-methylpropan-2-yl)oxy]piperidine
CID 58364950
4-Fluoro-1-methyl-4-[(2-methylpropan-2-yl)oxymethyl]piperidine
CID 58365091
1-(3-Fluoropropyl)-4-methyl-4-[(2-methylpropan-2-yl)oxymethyl]piperidine
CID 58365092
1-Methyl-4-(2,2,2-trifluoro-1-methoxyethyl)piperidine
CID 58450218
3-Fluoro-1-methyl-4-propan-2-yloxypiperidine
CID 59176306
4-Fluoro-4-(propan-2-yloxymethyl)piperidine
CID 59176312
4-(Ethoxymethyl)-1-(3-fluoropropyl)-4-methylpiperidine
CID 68275061
4-(Ethoxymethyl)-4-fluoro-1-methylpiperidine
CID 68275293

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-fluoro-4-(propan-2-yloxymethyl)piperidine?
The IUPAC name of 1-ethyl-4-fluoro-4-(propan-2-yloxymethyl)piperidine (CID 58303663) is 1-ethyl-4-fluoro-4-(propan-2-yloxymethyl)piperidine.
What is the SMILES notation for 1-ethyl-4-fluoro-4-(propan-2-yloxymethyl)piperidine?
The canonical SMILES for 1-ethyl-4-fluoro-4-(propan-2-yloxymethyl)piperidine is CCN1CCC(F)(COC(C)C)CC1.
What is the InChIKey of 1-ethyl-4-fluoro-4-(propan-2-yloxymethyl)piperidine?
The InChIKey is PPTGDMIZLOWFBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22FNO/c1-4-13-7-5-11(12,6-8-13)9-14-10(2)3/h10H,4-9H2,1-3H3.
What are the key properties of 1-ethyl-4-fluoro-4-(propan-2-yloxymethyl)piperidine?
1-ethyl-4-fluoro-4-(propan-2-yloxymethyl)piperidine has a molecular weight of 203.30 g/mol, XLogP of 2.24, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-fluoro-4-(propan-2-yloxymethyl)piperidine is sourced from PubChem (CID 58303663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).