1-(1-fluoro-1-piperidin-1-ylpropyl)piperidine

C13H25FN2 — CID 22014409

IUPAC1-(1-fluoro-1-piperidin-1-ylpropyl)piperidine
SMILESCCC(F)(N1CCCCC1)N1CCCCC1
InChIInChI=1S/C13H25FN2/c1-2-13(14,15-9-5-3-6-10-15)16-11-7-4-8-12-16/h2-12H2,1H3
InChIKeyFJCUHEHSWDSAHX-UHFFFAOYSA-N
MW228.35 g/mol
LogP2.99
Rot. Bonds3

About 1-(1-fluoro-1-piperidin-1-ylpropyl)piperidine

1-(1-fluoro-1-piperidin-1-ylpropyl)piperidine (PubChem CID 22014409) has the molecular formula C13H25FN2 and a molecular weight of 228.35 g/mol. Its IUPAC name is 1-(1-fluoro-1-piperidin-1-ylpropyl)piperidine.

Molecular Properties

Compound Name1-(1-fluoro-1-piperidin-1-ylpropyl)piperidine
PubChem CID22014409
Molecular FormulaC13H25FN2
Molecular Weight228.35 g/mol
Exact Mass228.20
IUPAC Name1-(1-fluoro-1-piperidin-1-ylpropyl)piperidine
SMILESCCC(F)(N1CCCCC1)N1CCCCC1
InChIInChI=1S/C13H25FN2/c1-2-13(14,15-9-5-3-6-10-15)16-11-7-4-8-12-16/h2-12H2,1H3
InChIKeyFJCUHEHSWDSAHX-UHFFFAOYSA-N
XLogP2.99
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.35
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Dipiperidinomethane
CID 70151
1,1'-Methylenebis[3-methylpiperidine]
CID 111445
1-Ethyl-1-(piperidinomethyl)piperidinium iodide
CID 3056448
Di(piperidin-1-yl)methaneselone
CID 10967200
Sdonzwftuggbko-uhfffaoysa-
CID 12430939
Octahydro-1-methyl-1h-pyrido[1,2-a]pyrimidine
CID 11126488
1-(1-Piperidin-1-ylethyl)piperidine
CID 21930576
Dipiperidinopentane
CID 22256086
Dipiperidyl propane
CID 129649333
1,1'-Methylenebis(4-methylpiperidine)
CID 6454772
1-(1-Fluoro-1-piperidin-1-ylethyl)piperidine
CID 22014404
1-(1-Fluoro-1-piperidin-1-ylbutyl)piperidine
CID 22014410

Frequently Asked Questions

What is the IUPAC name of 1-(1-fluoro-1-piperidin-1-ylpropyl)piperidine?
The IUPAC name of 1-(1-fluoro-1-piperidin-1-ylpropyl)piperidine (CID 22014409) is 1-(1-fluoro-1-piperidin-1-ylpropyl)piperidine.
What is the SMILES notation for 1-(1-fluoro-1-piperidin-1-ylpropyl)piperidine?
The canonical SMILES for 1-(1-fluoro-1-piperidin-1-ylpropyl)piperidine is CCC(F)(N1CCCCC1)N1CCCCC1.
What is the InChIKey of 1-(1-fluoro-1-piperidin-1-ylpropyl)piperidine?
The InChIKey is FJCUHEHSWDSAHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25FN2/c1-2-13(14,15-9-5-3-6-10-15)16-11-7-4-8-12-16/h2-12H2,1H3.
What are the key properties of 1-(1-fluoro-1-piperidin-1-ylpropyl)piperidine?
1-(1-fluoro-1-piperidin-1-ylpropyl)piperidine has a molecular weight of 228.35 g/mol, XLogP of 2.99, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-fluoro-1-piperidin-1-ylpropyl)piperidine is sourced from PubChem (CID 22014409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).