1-tridecylpiperidine tetrafluoroborate

C18H37BF4N- — CID 174702126

IUPAC1-tridecylpiperidine tetrafluoroborate
SMILESCCCCCCCCCCCCCN1CCCCC1.F[B-](F)(F)F
InChIInChI=1S/C18H37N.BF4/c1-2-3-4-5-6-7-8-9-10-11-13-16-19-17-14-12-15-18-19;2-1(3,4)5/h2-18H2,1H3;/q;-1
InChIKeyXQANHXODXYQNFK-UHFFFAOYSA-N
MW354.31 g/mol
LogP7.08
Rot. Bonds12

About 1-tridecylpiperidine tetrafluoroborate

1-tridecylpiperidine tetrafluoroborate (PubChem CID 174702126) has the molecular formula C18H37BF4N- and a molecular weight of 354.31 g/mol. Its IUPAC name is 1-tridecylpiperidine tetrafluoroborate.

Molecular Properties

Compound Name1-tridecylpiperidine tetrafluoroborate
PubChem CID174702126
Molecular FormulaC18H37BF4N-
Molecular Weight354.31 g/mol
Exact Mass354.30
IUPAC Name1-tridecylpiperidine tetrafluoroborate
SMILESCCCCCCCCCCCCCN1CCCCC1.F[B-](F)(F)F
InChIInChI=1S/C18H37N.BF4/c1-2-3-4-5-6-7-8-9-10-11-13-16-19-17-14-12-15-18-19;2-1(3,4)5/h2-18H2,1H3;/q;-1
InChIKeyXQANHXODXYQNFK-UHFFFAOYSA-N
XLogP7.08
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.31
LogP ≤ 57.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-decylpiperidine
CID 4649960
1-octylazonane
CID 20533821
1-dodecylazepane
CID 3366129
1-tetradecylpiperidine;hydrochloride
CID 71325293
CID 162323144
CID 162323144
ethane;1-nonylpiperidine
CID 177011009
1-butylpiperidine;hexane;1-hexylpiperidine
CID 156727490
1-heptylazetidine
CID 134402356
1,4,7,10-tetraheptyl-1,4,7,10-tetrazacyclotridecane
CID 24824731
acetic acid;1-nonylpiperidine
CID 175874764
1-octylaziridine
CID 544653
1,4,7-tridodecyl-1,4,7-triazonane
CID 66887116

Frequently Asked Questions

What is the IUPAC name of 1-tridecylpiperidine tetrafluoroborate?
The IUPAC name of 1-tridecylpiperidine tetrafluoroborate (CID 174702126) is 1-tridecylpiperidine tetrafluoroborate.
What is the SMILES notation for 1-tridecylpiperidine tetrafluoroborate?
The canonical SMILES for 1-tridecylpiperidine tetrafluoroborate is CCCCCCCCCCCCCN1CCCCC1.F[B-](F)(F)F.
What is the InChIKey of 1-tridecylpiperidine tetrafluoroborate?
The InChIKey is XQANHXODXYQNFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37N.BF4/c1-2-3-4-5-6-7-8-9-10-11-13-16-19-17-14-12-15-18-19;2-1(3,4)5/h2-18H2,1H3;/q;-1.
What are the key properties of 1-tridecylpiperidine tetrafluoroborate?
1-tridecylpiperidine tetrafluoroborate has a molecular weight of 354.31 g/mol, XLogP of 7.08, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tridecylpiperidine tetrafluoroborate is sourced from PubChem (CID 174702126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).