6-(5-chloro-2-fluorocyclohexyl)-2-methyl-3-prop-1-en-2-ylpiperidine

C15H25ClFN — CID 123489872

IUPAC6-(5-chloro-2-fluorocyclohexyl)-2-methyl-3-prop-1-en-2-ylpiperidine
SMILESC=C(C)C1CCC(C2CC(Cl)CCC2F)NC1C
InChIInChI=1S/C15H25ClFN/c1-9(2)12-5-7-15(18-10(12)3)13-8-11(16)4-6-14(13)17/h10-15,18H,1,4-8H2,2-3H3
InChIKeyYCEURSBDXLLMKS-UHFFFAOYSA-N
MW273.82 g/mol
LogP4.06
Rot. Bonds2

About 6-(5-chloro-2-fluorocyclohexyl)-2-methyl-3-prop-1-en-2-ylpiperidine

6-(5-chloro-2-fluorocyclohexyl)-2-methyl-3-prop-1-en-2-ylpiperidine (PubChem CID 123489872) has the molecular formula C15H25ClFN and a molecular weight of 273.82 g/mol. Its IUPAC name is 6-(5-chloro-2-fluorocyclohexyl)-2-methyl-3-prop-1-en-2-ylpiperidine.

Molecular Properties

Compound Name6-(5-chloro-2-fluorocyclohexyl)-2-methyl-3-prop-1-en-2-ylpiperidine
PubChem CID123489872
Molecular FormulaC15H25ClFN
Molecular Weight273.82 g/mol
Exact Mass273.17
IUPAC Name6-(5-chloro-2-fluorocyclohexyl)-2-methyl-3-prop-1-en-2-ylpiperidine
SMILESC=C(C)C1CCC(C2CC(Cl)CCC2F)NC1C
InChIInChI=1S/C15H25ClFN/c1-9(2)12-5-7-15(18-10(12)3)13-8-11(16)4-6-14(13)17/h10-15,18H,1,4-8H2,2-3H3
InChIKeyYCEURSBDXLLMKS-UHFFFAOYSA-N
XLogP4.06
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.82
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(5-chloro-2-fluorocyclohexyl)-2-methyl-3-prop-1-en-2-ylpiperidine?
The IUPAC name of 6-(5-chloro-2-fluorocyclohexyl)-2-methyl-3-prop-1-en-2-ylpiperidine (CID 123489872) is 6-(5-chloro-2-fluorocyclohexyl)-2-methyl-3-prop-1-en-2-ylpiperidine.
What is the SMILES notation for 6-(5-chloro-2-fluorocyclohexyl)-2-methyl-3-prop-1-en-2-ylpiperidine?
The canonical SMILES for 6-(5-chloro-2-fluorocyclohexyl)-2-methyl-3-prop-1-en-2-ylpiperidine is C=C(C)C1CCC(C2CC(Cl)CCC2F)NC1C.
What is the InChIKey of 6-(5-chloro-2-fluorocyclohexyl)-2-methyl-3-prop-1-en-2-ylpiperidine?
The InChIKey is YCEURSBDXLLMKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25ClFN/c1-9(2)12-5-7-15(18-10(12)3)13-8-11(16)4-6-14(13)17/h10-15,18H,1,4-8H2,2-3H3.
What are the key properties of 6-(5-chloro-2-fluorocyclohexyl)-2-methyl-3-prop-1-en-2-ylpiperidine?
6-(5-chloro-2-fluorocyclohexyl)-2-methyl-3-prop-1-en-2-ylpiperidine has a molecular weight of 273.82 g/mol, XLogP of 4.06, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-chloro-2-fluorocyclohexyl)-2-methyl-3-prop-1-en-2-ylpiperidine is sourced from PubChem (CID 123489872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).