1-(chloro-fluoro-piperidin-1-ylmethyl)piperidine

C11H20ClFN2 — CID 140998804

IUPAC1-(chloro-fluoro-piperidin-1-ylmethyl)piperidine
SMILESFC(Cl)(N1CCCCC1)N1CCCCC1
InChIInChI=1S/C11H20ClFN2/c12-11(13,14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-10H2
InChIKeyUDDCVJYBRUQIQU-UHFFFAOYSA-N
MW234.75 g/mol
LogP2.78
Rot. Bonds2

About 1-(chloro-fluoro-piperidin-1-ylmethyl)piperidine

1-(chloro-fluoro-piperidin-1-ylmethyl)piperidine (PubChem CID 140998804) has the molecular formula C11H20ClFN2 and a molecular weight of 234.75 g/mol. Its IUPAC name is 1-(chloro-fluoro-piperidin-1-ylmethyl)piperidine.

Molecular Properties

Compound Name1-(chloro-fluoro-piperidin-1-ylmethyl)piperidine
PubChem CID140998804
Molecular FormulaC11H20ClFN2
Molecular Weight234.75 g/mol
Exact Mass234.13
IUPAC Name1-(chloro-fluoro-piperidin-1-ylmethyl)piperidine
SMILESFC(Cl)(N1CCCCC1)N1CCCCC1
InChIInChI=1S/C11H20ClFN2/c12-11(13,14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-10H2
InChIKeyUDDCVJYBRUQIQU-UHFFFAOYSA-N
XLogP2.78
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.75
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(chloro-fluoro-piperidin-1-ylmethyl)piperidine?
The IUPAC name of 1-(chloro-fluoro-piperidin-1-ylmethyl)piperidine (CID 140998804) is 1-(chloro-fluoro-piperidin-1-ylmethyl)piperidine.
What is the SMILES notation for 1-(chloro-fluoro-piperidin-1-ylmethyl)piperidine?
The canonical SMILES for 1-(chloro-fluoro-piperidin-1-ylmethyl)piperidine is FC(Cl)(N1CCCCC1)N1CCCCC1.
What is the InChIKey of 1-(chloro-fluoro-piperidin-1-ylmethyl)piperidine?
The InChIKey is UDDCVJYBRUQIQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20ClFN2/c12-11(13,14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-10H2.
What are the key properties of 1-(chloro-fluoro-piperidin-1-ylmethyl)piperidine?
1-(chloro-fluoro-piperidin-1-ylmethyl)piperidine has a molecular weight of 234.75 g/mol, XLogP of 2.78, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(chloro-fluoro-piperidin-1-ylmethyl)piperidine is sourced from PubChem (CID 140998804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).