1-(1-fluoro-1-piperidin-1-ylbutyl)piperidine

C14H27FN2 — CID 22014410

IUPAC1-(1-fluoro-1-piperidin-1-ylbutyl)piperidine
SMILESCCCC(F)(N1CCCCC1)N1CCCCC1
InChIInChI=1S/C14H27FN2/c1-2-9-14(15,16-10-5-3-6-11-16)17-12-7-4-8-13-17/h2-13H2,1H3
InChIKeyXMYOABFXCSBLOD-UHFFFAOYSA-N
MW242.38 g/mol
LogP3.38
Rot. Bonds4

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

1-(1-fluoro-1-piperidin-1-ylbutyl)piperidine (PubChem CID 22014410) has the molecular formula C14H27FN2 and a molecular weight of 242.38 g/mol. Its IUPAC name is 1-(1-fluoro-1-piperidin-1-ylbutyl)piperidine.

Molecular Properties

Compound Name1-(1-fluoro-1-piperidin-1-ylbutyl)piperidine
PubChem CID22014410
Molecular FormulaC14H27FN2
Molecular Weight242.38 g/mol
Exact Mass242.22
IUPAC Name1-(1-fluoro-1-piperidin-1-ylbutyl)piperidine
SMILESCCCC(F)(N1CCCCC1)N1CCCCC1
InChIInChI=1S/C14H27FN2/c1-2-9-14(15,16-10-5-3-6-11-16)17-12-7-4-8-13-17/h2-13H2,1H3
InChIKeyXMYOABFXCSBLOD-UHFFFAOYSA-N
XLogP3.38
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.38
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(1-fluoro-1-piperidin-1-ylbutyl)piperidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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-ylpropyl)piperidine
CID 22014409

Frequently Asked Questions

What is the IUPAC name of 1-(1-fluoro-1-piperidin-1-ylbutyl)piperidine?
The IUPAC name of 1-(1-fluoro-1-piperidin-1-ylbutyl)piperidine (CID 22014410) is 1-(1-fluoro-1-piperidin-1-ylbutyl)piperidine.
What is the SMILES notation for 1-(1-fluoro-1-piperidin-1-ylbutyl)piperidine?
The canonical SMILES for 1-(1-fluoro-1-piperidin-1-ylbutyl)piperidine is CCCC(F)(N1CCCCC1)N1CCCCC1.
What is the InChIKey of 1-(1-fluoro-1-piperidin-1-ylbutyl)piperidine?
The InChIKey is XMYOABFXCSBLOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27FN2/c1-2-9-14(15,16-10-5-3-6-11-16)17-12-7-4-8-13-17/h2-13H2,1H3.
What are the key properties of 1-(1-fluoro-1-piperidin-1-ylbutyl)piperidine?
1-(1-fluoro-1-piperidin-1-ylbutyl)piperidine has a molecular weight of 242.38 g/mol, XLogP of 3.38, 4 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-ylbutyl)piperidine is sourced from PubChem (CID 22014410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).