4-[3-fluoro-1-(2-methylpropyl)piperidin-4-yl]oxypiperidine-1-carbonyl fluoride

C15H26F2N2O2 — CID 165116558

IUPAC4-[3-fluoro-1-(2-methylpropyl)piperidin-4-yl]oxypiperidine-1-carbonyl fluoride
SMILESCC(C)CN1CCC(OC2CCN(C(=O)F)CC2)C(F)C1
InChIInChI=1S/C15H26F2N2O2/c1-11(2)9-18-6-5-14(13(16)10-18)21-12-3-7-19(8-4-12)15(17)20/h11-14H,3-10H2,1-2H3
InChIKeyUHUSFOAMXFZRBF-UHFFFAOYSA-N
MW304.38 g/mol
LogP2.63
Rot. Bonds4

About 4-[3-fluoro-1-(2-methylpropyl)piperidin-4-yl]oxypiperidine-1-carbonyl fluoride

4-[3-fluoro-1-(2-methylpropyl)piperidin-4-yl]oxypiperidine-1-carbonyl fluoride (PubChem CID 165116558) has the molecular formula C15H26F2N2O2 and a molecular weight of 304.38 g/mol. Its IUPAC name is 4-[3-fluoro-1-(2-methylpropyl)piperidin-4-yl]oxypiperidine-1-carbonyl fluoride.

Molecular Properties

Compound Name4-[3-fluoro-1-(2-methylpropyl)piperidin-4-yl]oxypiperidine-1-carbonyl fluoride
PubChem CID165116558
Molecular FormulaC15H26F2N2O2
Molecular Weight304.38 g/mol
Exact Mass304.20
IUPAC Name4-[3-fluoro-1-(2-methylpropyl)piperidin-4-yl]oxypiperidine-1-carbonyl fluoride
SMILESCC(C)CN1CCC(OC2CCN(C(=O)F)CC2)C(F)C1
InChIInChI=1S/C15H26F2N2O2/c1-11(2)9-18-6-5-14(13(16)10-18)21-12-3-7-19(8-4-12)15(17)20/h11-14H,3-10H2,1-2H3
InChIKeyUHUSFOAMXFZRBF-UHFFFAOYSA-N
XLogP2.63
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.38
LogP ≤ 52.63
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-[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
4-(1-Ethylpiperidin-4-yl)oxy-3-fluoro-1-(2-methylpropyl)piperidine
CID 156187620
1-Ethyl-3-fluoro-4-[1-(2-methylpropyl)piperidin-4-yl]oxypiperidine
CID 156187674
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-[4-[3-Fluoro-1-(2-methylpropyl)piperidin-4-yl]oxypiperidin-1-yl]-2-methylpropan-1-one
CID 156707530
1-[4-(3-Fluoro-1-propylpiperidin-4-yl)oxypiperidin-1-yl]propan-1-one
CID 156707590
4-[(3-Fluoro-4-propan-2-yloxypiperidin-1-yl)methyl]piperidine-1-carbonyl fluoride
CID 165116555
4-[(4-Propan-2-yloxypiperidin-1-yl)methyl]piperidine-1-carbonyl fluoride
CID 165116678

Frequently Asked Questions

What is the IUPAC name of 4-[3-fluoro-1-(2-methylpropyl)piperidin-4-yl]oxypiperidine-1-carbonyl fluoride?
The IUPAC name of 4-[3-fluoro-1-(2-methylpropyl)piperidin-4-yl]oxypiperidine-1-carbonyl fluoride (CID 165116558) is 4-[3-fluoro-1-(2-methylpropyl)piperidin-4-yl]oxypiperidine-1-carbonyl fluoride.
What is the SMILES notation for 4-[3-fluoro-1-(2-methylpropyl)piperidin-4-yl]oxypiperidine-1-carbonyl fluoride?
The canonical SMILES for 4-[3-fluoro-1-(2-methylpropyl)piperidin-4-yl]oxypiperidine-1-carbonyl fluoride is CC(C)CN1CCC(OC2CCN(C(=O)F)CC2)C(F)C1.
What is the InChIKey of 4-[3-fluoro-1-(2-methylpropyl)piperidin-4-yl]oxypiperidine-1-carbonyl fluoride?
The InChIKey is UHUSFOAMXFZRBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26F2N2O2/c1-11(2)9-18-6-5-14(13(16)10-18)21-12-3-7-19(8-4-12)15(17)20/h11-14H,3-10H2,1-2H3.
What are the key properties of 4-[3-fluoro-1-(2-methylpropyl)piperidin-4-yl]oxypiperidine-1-carbonyl fluoride?
4-[3-fluoro-1-(2-methylpropyl)piperidin-4-yl]oxypiperidine-1-carbonyl fluoride has a molecular weight of 304.38 g/mol, XLogP of 2.63, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-fluoro-1-(2-methylpropyl)piperidin-4-yl]oxypiperidine-1-carbonyl fluoride is sourced from PubChem (CID 165116558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).