4,4-difluoro-1-heptylpiperidine

C12H23F2N — CID 138507375

IUPAC4,4-difluoro-1-heptylpiperidine
SMILESCCCCCCCN1CCC(F)(F)CC1
InChIInChI=1S/C12H23F2N/c1-2-3-4-5-6-9-15-10-7-12(13,14)8-11-15/h2-11H2,1H3
InChIKeyRITIKPZTHJVJAH-UHFFFAOYSA-N
MW219.32 g/mol
LogP3.69
Rot. Bonds6

About 4,4-difluoro-1-heptylpiperidine

4,4-difluoro-1-heptylpiperidine (PubChem CID 138507375) has the molecular formula C12H23F2N and a molecular weight of 219.32 g/mol. Its IUPAC name is 4,4-difluoro-1-heptylpiperidine.

Molecular Properties

Compound Name4,4-difluoro-1-heptylpiperidine
PubChem CID138507375
Molecular FormulaC12H23F2N
Molecular Weight219.32 g/mol
Exact Mass219.18
IUPAC Name4,4-difluoro-1-heptylpiperidine
SMILESCCCCCCCN1CCC(F)(F)CC1
InChIInChI=1S/C12H23F2N/c1-2-3-4-5-6-9-15-10-7-12(13,14)8-11-15/h2-11H2,1H3
InChIKeyRITIKPZTHJVJAH-UHFFFAOYSA-N
XLogP3.69
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.32
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3,3-difluoro-1-heptylpyrrolidine
CID 174988522
1-hexyl-4,4-dimethylpiperidine
CID 18722930
1-octylaziridine
CID 544653
1,4,7-tridodecyl-1,4,7-triazonane
CID 66887116
2,8-dipentyl-2,8-diazaspiro[4.5]decane;ethane
CID 156829992
1-hexyl-4-methylpiperidin-4-amine
CID 142516140
ethane;1-nonylpiperidine
CID 177011009
1-heptylazetidine
CID 134402356
8-octyl-1,4-dioxa-8-azaspiro[4.5]decane
CID 21249280
ethane;2-ethyl-7-pentyl-2,7-diazaspiro[3.5]nonane
CID 171554465
4,4-difluoro-1-octylpiperidin-3-ol
CID 138581107
(4-nonylpiperazin-1-yl)methanol
CID 574800

Frequently Asked Questions

What is the IUPAC name of 4,4-difluoro-1-heptylpiperidine?
The IUPAC name of 4,4-difluoro-1-heptylpiperidine (CID 138507375) is 4,4-difluoro-1-heptylpiperidine.
What is the SMILES notation for 4,4-difluoro-1-heptylpiperidine?
The canonical SMILES for 4,4-difluoro-1-heptylpiperidine is CCCCCCCN1CCC(F)(F)CC1.
What is the InChIKey of 4,4-difluoro-1-heptylpiperidine?
The InChIKey is RITIKPZTHJVJAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23F2N/c1-2-3-4-5-6-9-15-10-7-12(13,14)8-11-15/h2-11H2,1H3.
What are the key properties of 4,4-difluoro-1-heptylpiperidine?
4,4-difluoro-1-heptylpiperidine has a molecular weight of 219.32 g/mol, XLogP of 3.69, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoro-1-heptylpiperidine is sourced from PubChem (CID 138507375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).