4-(fluoromethyl)-4-methyl-1-[2-(2-methylpropoxy)ethyl]piperidine

C13H26FNO — CID 177032197

IUPAC4-(fluoromethyl)-4-methyl-1-[2-(2-methylpropoxy)ethyl]piperidine
SMILESCC(C)COCCN1CCC(C)(CF)CC1
InChIInChI=1S/C13H26FNO/c1-12(2)10-16-9-8-15-6-4-13(3,11-14)5-7-15/h12H,4-11H2,1-3H3
InChIKeyOQBXDGTUHNYGJX-UHFFFAOYSA-N
MW231.35 g/mol
LogP2.73
Rot. Bonds6

About 4-(fluoromethyl)-4-methyl-1-[2-(2-methylpropoxy)ethyl]piperidine

4-(fluoromethyl)-4-methyl-1-[2-(2-methylpropoxy)ethyl]piperidine (PubChem CID 177032197) has the molecular formula C13H26FNO and a molecular weight of 231.35 g/mol. Its IUPAC name is 4-(fluoromethyl)-4-methyl-1-[2-(2-methylpropoxy)ethyl]piperidine.

Molecular Properties

Compound Name4-(fluoromethyl)-4-methyl-1-[2-(2-methylpropoxy)ethyl]piperidine
PubChem CID177032197
Molecular FormulaC13H26FNO
Molecular Weight231.35 g/mol
Exact Mass231.20
IUPAC Name4-(fluoromethyl)-4-methyl-1-[2-(2-methylpropoxy)ethyl]piperidine
SMILESCC(C)COCCN1CCC(C)(CF)CC1
InChIInChI=1S/C13H26FNO/c1-12(2)10-16-9-8-15-6-4-13(3,11-14)5-7-15/h12H,4-11H2,1-3H3
InChIKeyOQBXDGTUHNYGJX-UHFFFAOYSA-N
XLogP2.73
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.35
LogP ≤ 52.73
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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Related Compounds

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1-[2-(1,1,1-Trifluoro-3-methylbutan-2-yl)oxyethyl]piperidine
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4-Fluoro-1-(2-methoxyethyl)-4-methylpiperidine
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CID 68275061
1-(3-Fluoropropyl)-4-(methoxymethyl)-4-methylpiperidine
CID 122544465
4-Propan-2-yl-1-[2-(trifluoromethoxy)ethyl]piperidine
CID 129066643
4-Fluoro-4-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine
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Frequently Asked Questions

What is the IUPAC name of 4-(fluoromethyl)-4-methyl-1-[2-(2-methylpropoxy)ethyl]piperidine?
The IUPAC name of 4-(fluoromethyl)-4-methyl-1-[2-(2-methylpropoxy)ethyl]piperidine (CID 177032197) is 4-(fluoromethyl)-4-methyl-1-[2-(2-methylpropoxy)ethyl]piperidine.
What is the SMILES notation for 4-(fluoromethyl)-4-methyl-1-[2-(2-methylpropoxy)ethyl]piperidine?
The canonical SMILES for 4-(fluoromethyl)-4-methyl-1-[2-(2-methylpropoxy)ethyl]piperidine is CC(C)COCCN1CCC(C)(CF)CC1.
What is the InChIKey of 4-(fluoromethyl)-4-methyl-1-[2-(2-methylpropoxy)ethyl]piperidine?
The InChIKey is OQBXDGTUHNYGJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26FNO/c1-12(2)10-16-9-8-15-6-4-13(3,11-14)5-7-15/h12H,4-11H2,1-3H3.
What are the key properties of 4-(fluoromethyl)-4-methyl-1-[2-(2-methylpropoxy)ethyl]piperidine?
4-(fluoromethyl)-4-methyl-1-[2-(2-methylpropoxy)ethyl]piperidine has a molecular weight of 231.35 g/mol, XLogP of 2.73, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(fluoromethyl)-4-methyl-1-[2-(2-methylpropoxy)ethyl]piperidine is sourced from PubChem (CID 177032197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).