4-(1-fluoroundecyl)piperidine

C16H32FN — CID 112563659

IUPAC4-(1-fluoroundecyl)piperidine
SMILESCCCCCCCCCCC(F)C1CCNCC1
InChIInChI=1S/C16H32FN/c1-2-3-4-5-6-7-8-9-10-16(17)15-11-13-18-14-12-15/h15-16,18H,2-14H2,1H3
InChIKeyYGJOOXSICAIACO-UHFFFAOYSA-N
MW257.44 g/mol
LogP4.85
Rot. Bonds10

About 4-(1-fluoroundecyl)piperidine

4-(1-fluoroundecyl)piperidine (PubChem CID 112563659) has the molecular formula C16H32FN and a molecular weight of 257.44 g/mol. Its IUPAC name is 4-(1-fluoroundecyl)piperidine.

Molecular Properties

Compound Name4-(1-fluoroundecyl)piperidine
PubChem CID112563659
Molecular FormulaC16H32FN
Molecular Weight257.44 g/mol
Exact Mass257.25
IUPAC Name4-(1-fluoroundecyl)piperidine
SMILESCCCCCCCCCCC(F)C1CCNCC1
InChIInChI=1S/C16H32FN/c1-2-3-4-5-6-7-8-9-10-16(17)15-11-13-18-14-12-15/h15-16,18H,2-14H2,1H3
InChIKeyYGJOOXSICAIACO-UHFFFAOYSA-N
XLogP4.85
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.44
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-piperidin-4-ylundecan-1-ol
CID 80560155
4-heptan-2-ylpiperidine
CID 143122379
4-[(1S)-1-fluoropropyl]piperidine
CID 124547570
4-(3-ethylsulfonyl-1-fluoropropyl)piperidine
CID 106735909
3-nonan-3-ylpyrrolidine
CID 146488434
1-piperidin-4-ylpentan-1-ol
CID 19599407
4-octan-4-ylpiperidine
CID 143122305
2-(1-fluoroheptyl)oxirane
CID 57127668
4-(4-butyl-3-ethyltridecan-3-yl)piperidine
CID 123229477
4-hexadecylpiperidine
CID 54096875
1-cyclopropyloctylcyclopropane
CID 141276542
4-heptylpiperidine;methane
CID 144690559

Frequently Asked Questions

What is the IUPAC name of 4-(1-fluoroundecyl)piperidine?
The IUPAC name of 4-(1-fluoroundecyl)piperidine (CID 112563659) is 4-(1-fluoroundecyl)piperidine.
What is the SMILES notation for 4-(1-fluoroundecyl)piperidine?
The canonical SMILES for 4-(1-fluoroundecyl)piperidine is CCCCCCCCCCC(F)C1CCNCC1.
What is the InChIKey of 4-(1-fluoroundecyl)piperidine?
The InChIKey is YGJOOXSICAIACO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32FN/c1-2-3-4-5-6-7-8-9-10-16(17)15-11-13-18-14-12-15/h15-16,18H,2-14H2,1H3.
What are the key properties of 4-(1-fluoroundecyl)piperidine?
4-(1-fluoroundecyl)piperidine has a molecular weight of 257.44 g/mol, XLogP of 4.85, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-fluoroundecyl)piperidine is sourced from PubChem (CID 112563659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).