4-[(4-ethoxy-3-fluoropiperidin-1-yl)methyl]piperidine-1-carbonyl fluoride

C14H24F2N2O2 — CID 156707628

IUPAC4-[(4-ethoxy-3-fluoropiperidin-1-yl)methyl]piperidine-1-carbonyl fluoride
SMILESCCOC1CCN(CC2CCN(C(=O)F)CC2)CC1F
InChIInChI=1S/C14H24F2N2O2/c1-2-20-13-5-6-17(10-12(13)15)9-11-3-7-18(8-4-11)14(16)19/h11-13H,2-10H2,1H3
InChIKeyWFCABBBNXJGPQI-UHFFFAOYSA-N
MW290.35 g/mol
LogP2.24
Rot. Bonds4

About 4-[(4-ethoxy-3-fluoropiperidin-1-yl)methyl]piperidine-1-carbonyl fluoride

4-[(4-ethoxy-3-fluoropiperidin-1-yl)methyl]piperidine-1-carbonyl fluoride (PubChem CID 156707628) has the molecular formula C14H24F2N2O2 and a molecular weight of 290.35 g/mol. Its IUPAC name is 4-[(4-ethoxy-3-fluoropiperidin-1-yl)methyl]piperidine-1-carbonyl fluoride.

Molecular Properties

Compound Name4-[(4-ethoxy-3-fluoropiperidin-1-yl)methyl]piperidine-1-carbonyl fluoride
PubChem CID156707628
Molecular FormulaC14H24F2N2O2
Molecular Weight290.35 g/mol
Exact Mass290.18
IUPAC Name4-[(4-ethoxy-3-fluoropiperidin-1-yl)methyl]piperidine-1-carbonyl fluoride
SMILESCCOC1CCN(CC2CCN(C(=O)F)CC2)CC1F
InChIInChI=1S/C14H24F2N2O2/c1-2-20-13-5-6-17(10-12(13)15)9-11-3-7-18(8-4-11)14(16)19/h11-13H,2-10H2,1H3
InChIKeyWFCABBBNXJGPQI-UHFFFAOYSA-N
XLogP2.24
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.35
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-Methyl-4-(2-methylpropoxy)piperidine;1-methyl-4-(trifluoromethyl)piperidine
CID 143876430
1-[4-[3-Fluoro-1-(2-methylpropyl)piperidin-4-yl]oxypiperidin-1-yl]ethanone
CID 156187211
1-[4-(3-Fluoro-1-propylpiperidin-4-yl)oxypiperidin-1-yl]ethanone
CID 156187212
1-[4-[2-(3-Fluoro-4-propan-2-yloxypiperidin-1-yl)ethyl]piperidin-1-yl]ethanone
CID 156187618
1-[(1-Ethylpiperidin-4-yl)methyl]-3-fluoro-4-propan-2-yloxypiperidine
CID 156187671
1-[4-[2-(3-Fluoro-4-methoxypiperidin-1-yl)ethyl]piperidin-1-yl]ethanone
CID 156707378
1-[4-[(3-Fluoro-4-propan-2-yloxypiperidin-1-yl)methyl]piperidin-1-yl]propan-1-one
CID 156707400
1-[4-[3-Fluoro-1-(2-methylpropyl)piperidin-4-yl]oxypiperidin-1-yl]propan-1-one
CID 156707401
1-[(1-Butylpiperidin-4-yl)methyl]-3-fluoro-4-methoxypiperidine
CID 156707432
1-[4-[3-Fluoro-1-(2-methylpropyl)piperidin-4-yl]oxypiperidin-1-yl]-2-methylpropan-1-one
CID 156707530
4-[(3-Fluoro-4-propan-2-yloxypiperidin-1-yl)methyl]piperidine-1-carbonyl fluoride
CID 165116555
4-[3-Fluoro-1-(2-methylpropyl)piperidin-4-yl]oxypiperidine-1-carbonyl fluoride
CID 165116558

Frequently Asked Questions

What is the IUPAC name of 4-[(4-ethoxy-3-fluoropiperidin-1-yl)methyl]piperidine-1-carbonyl fluoride?
The IUPAC name of 4-[(4-ethoxy-3-fluoropiperidin-1-yl)methyl]piperidine-1-carbonyl fluoride (CID 156707628) is 4-[(4-ethoxy-3-fluoropiperidin-1-yl)methyl]piperidine-1-carbonyl fluoride.
What is the SMILES notation for 4-[(4-ethoxy-3-fluoropiperidin-1-yl)methyl]piperidine-1-carbonyl fluoride?
The canonical SMILES for 4-[(4-ethoxy-3-fluoropiperidin-1-yl)methyl]piperidine-1-carbonyl fluoride is CCOC1CCN(CC2CCN(C(=O)F)CC2)CC1F.
What is the InChIKey of 4-[(4-ethoxy-3-fluoropiperidin-1-yl)methyl]piperidine-1-carbonyl fluoride?
The InChIKey is WFCABBBNXJGPQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24F2N2O2/c1-2-20-13-5-6-17(10-12(13)15)9-11-3-7-18(8-4-11)14(16)19/h11-13H,2-10H2,1H3.
What are the key properties of 4-[(4-ethoxy-3-fluoropiperidin-1-yl)methyl]piperidine-1-carbonyl fluoride?
4-[(4-ethoxy-3-fluoropiperidin-1-yl)methyl]piperidine-1-carbonyl fluoride has a molecular weight of 290.35 g/mol, XLogP of 2.24, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-ethoxy-3-fluoropiperidin-1-yl)methyl]piperidine-1-carbonyl fluoride is sourced from PubChem (CID 156707628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).