1-(fluoromethyl)-4-(2-methoxyethyl)piperidine

C9H18FNO — CID 154684316

IUPAC1-(fluoromethyl)-4-(2-methoxyethyl)piperidine
SMILESCOCCC1CCN(CF)CC1
InChIInChI=1S/C9H18FNO/c1-12-7-4-9-2-5-11(8-10)6-3-9/h9H,2-8H2,1H3
InChIKeyQICWFYFDLHFILV-UHFFFAOYSA-N
MW175.25 g/mol
LogP1.66
Rot. Bonds4

About 1-(fluoromethyl)-4-(2-methoxyethyl)piperidine

1-(fluoromethyl)-4-(2-methoxyethyl)piperidine (PubChem CID 154684316) has the molecular formula C9H18FNO and a molecular weight of 175.25 g/mol. Its IUPAC name is 1-(fluoromethyl)-4-(2-methoxyethyl)piperidine.

Molecular Properties

Compound Name1-(fluoromethyl)-4-(2-methoxyethyl)piperidine
PubChem CID154684316
Molecular FormulaC9H18FNO
Molecular Weight175.25 g/mol
Exact Mass175.14
IUPAC Name1-(fluoromethyl)-4-(2-methoxyethyl)piperidine
SMILESCOCCC1CCN(CF)CC1
InChIInChI=1S/C9H18FNO/c1-12-7-4-9-2-5-11(8-10)6-3-9/h9H,2-8H2,1H3
InChIKeyQICWFYFDLHFILV-UHFFFAOYSA-N
XLogP1.66
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.25
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

2-(1-Methylpiperidin-4-yl)ethan-1-ol
CID 15434835
4-(2-Methoxyethyl)-1-propylpiperidine
CID 134579822
3-Fluoro-3-methyl-1-(oxan-3-ylmethyl)piperidine
CID 126790286
4-[Ethoxy(difluoro)methyl]-1-ethylpiperidine
CID 20723957
4-Fluoro-4-(methoxymethyl)-1-methylpiperidine
CID 57580403
4-(Ethoxymethyl)-4-fluoro-1-methylpiperidine
CID 68275293
1-Ethyl-4-fluoro-4-(methoxymethyl)piperidine
CID 68321528
4-Fluoro-1-(2-fluoroethyl)-4-(methoxymethyl)piperidine
CID 88936124
1-(1-Methoxyethyl)-4-(trifluoromethyl)piperidine
CID 90935730
2-(1-Ethylpiperidin-4-yl)-2-fluoroethanol
CID 105436240
1-Methyl-3-(trifluoromethoxymethyl)piperidine
CID 122664383
1-(2-Fluoro-2-methylpropyl)-4-(methoxymethyl)piperidine
CID 126749522

Frequently Asked Questions

What is the IUPAC name of 1-(fluoromethyl)-4-(2-methoxyethyl)piperidine?
The IUPAC name of 1-(fluoromethyl)-4-(2-methoxyethyl)piperidine (CID 154684316) is 1-(fluoromethyl)-4-(2-methoxyethyl)piperidine.
What is the SMILES notation for 1-(fluoromethyl)-4-(2-methoxyethyl)piperidine?
The canonical SMILES for 1-(fluoromethyl)-4-(2-methoxyethyl)piperidine is COCCC1CCN(CF)CC1.
What is the InChIKey of 1-(fluoromethyl)-4-(2-methoxyethyl)piperidine?
The InChIKey is QICWFYFDLHFILV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18FNO/c1-12-7-4-9-2-5-11(8-10)6-3-9/h9H,2-8H2,1H3.
What are the key properties of 1-(fluoromethyl)-4-(2-methoxyethyl)piperidine?
1-(fluoromethyl)-4-(2-methoxyethyl)piperidine has a molecular weight of 175.25 g/mol, XLogP of 1.66, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(fluoromethyl)-4-(2-methoxyethyl)piperidine is sourced from PubChem (CID 154684316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).