4-[(4-bromophenyl)methylidene]-1-tert-butylpiperidine

C16H22BrN — CID 71270945

IUPAC4-[(4-bromophenyl)methylidene]-1-tert-butylpiperidine
SMILESCC(C)(C)N1CCC(=Cc2ccc(Br)cc2)CC1
InChIInChI=1S/C16H22BrN/c1-16(2,3)18-10-8-14(9-11-18)12-13-4-6-15(17)7-5-13/h4-7,12H,8-11H2,1-3H3
InChIKeyCFKMUDLIKLMNNB-UHFFFAOYSA-N
MW308.26 g/mol
LogP4.73
Rot. Bonds1

About 4-[(4-bromophenyl)methylidene]-1-tert-butylpiperidine

4-[(4-bromophenyl)methylidene]-1-tert-butylpiperidine (PubChem CID 71270945) has the molecular formula C16H22BrN and a molecular weight of 308.26 g/mol. Its IUPAC name is 4-[(4-bromophenyl)methylidene]-1-tert-butylpiperidine.

Molecular Properties

Compound Name4-[(4-bromophenyl)methylidene]-1-tert-butylpiperidine
PubChem CID71270945
Molecular FormulaC16H22BrN
Molecular Weight308.26 g/mol
Exact Mass307.09
IUPAC Name4-[(4-bromophenyl)methylidene]-1-tert-butylpiperidine
SMILESCC(C)(C)N1CCC(=Cc2ccc(Br)cc2)CC1
InChIInChI=1S/C16H22BrN/c1-16(2,3)18-10-8-14(9-11-18)12-13-4-6-15(17)7-5-13/h4-7,12H,8-11H2,1-3H3
InChIKeyCFKMUDLIKLMNNB-UHFFFAOYSA-N
XLogP4.73
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.26
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-bromophenyl)methylidene]-1-tert-butylpiperidine?
The IUPAC name of 4-[(4-bromophenyl)methylidene]-1-tert-butylpiperidine (CID 71270945) is 4-[(4-bromophenyl)methylidene]-1-tert-butylpiperidine.
What is the SMILES notation for 4-[(4-bromophenyl)methylidene]-1-tert-butylpiperidine?
The canonical SMILES for 4-[(4-bromophenyl)methylidene]-1-tert-butylpiperidine is CC(C)(C)N1CCC(=Cc2ccc(Br)cc2)CC1.
What is the InChIKey of 4-[(4-bromophenyl)methylidene]-1-tert-butylpiperidine?
The InChIKey is CFKMUDLIKLMNNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22BrN/c1-16(2,3)18-10-8-14(9-11-18)12-13-4-6-15(17)7-5-13/h4-7,12H,8-11H2,1-3H3.
What are the key properties of 4-[(4-bromophenyl)methylidene]-1-tert-butylpiperidine?
4-[(4-bromophenyl)methylidene]-1-tert-butylpiperidine has a molecular weight of 308.26 g/mol, XLogP of 4.73, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-bromophenyl)methylidene]-1-tert-butylpiperidine is sourced from PubChem (CID 71270945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).