4-[(4-bromophenyl)-phenylmethylidene]-1-methylpiperidine

C19H20BrN — CID 3076343

IUPAC4-[(4-bromophenyl)-phenylmethylidene]-1-methylpiperidine
SMILESCN1CCC(=C(c2ccccc2)c2ccc(Br)cc2)CC1
InChIInChI=1S/C19H20BrN/c1-21-13-11-17(12-14-21)19(15-5-3-2-4-6-15)16-7-9-18(20)10-8-16/h2-10H,11-14H2,1H3
InChIKeySMAVQOQAFDCUIZ-UHFFFAOYSA-N
MW342.28 g/mol
LogP4.98
Rot. Bonds2

About 4-[(4-bromophenyl)-phenylmethylidene]-1-methylpiperidine

4-[(4-bromophenyl)-phenylmethylidene]-1-methylpiperidine (PubChem CID 3076343) has the molecular formula C19H20BrN and a molecular weight of 342.28 g/mol. Its IUPAC name is 4-[(4-bromophenyl)-phenylmethylidene]-1-methylpiperidine.

Molecular Properties

Compound Name4-[(4-bromophenyl)-phenylmethylidene]-1-methylpiperidine
PubChem CID3076343
Molecular FormulaC19H20BrN
Molecular Weight342.28 g/mol
Exact Mass341.08
IUPAC Name4-[(4-bromophenyl)-phenylmethylidene]-1-methylpiperidine
SMILESCN1CCC(=C(c2ccccc2)c2ccc(Br)cc2)CC1
InChIInChI=1S/C19H20BrN/c1-21-13-11-17(12-14-21)19(15-5-3-2-4-6-15)16-7-9-18(20)10-8-16/h2-10H,11-14H2,1H3
InChIKeySMAVQOQAFDCUIZ-UHFFFAOYSA-N
XLogP4.98
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.28
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-bromophenyl)-phenylmethylidene]-1-methylpiperidine?
The IUPAC name of 4-[(4-bromophenyl)-phenylmethylidene]-1-methylpiperidine (CID 3076343) is 4-[(4-bromophenyl)-phenylmethylidene]-1-methylpiperidine.
What is the SMILES notation for 4-[(4-bromophenyl)-phenylmethylidene]-1-methylpiperidine?
The canonical SMILES for 4-[(4-bromophenyl)-phenylmethylidene]-1-methylpiperidine is CN1CCC(=C(c2ccccc2)c2ccc(Br)cc2)CC1.
What is the InChIKey of 4-[(4-bromophenyl)-phenylmethylidene]-1-methylpiperidine?
The InChIKey is SMAVQOQAFDCUIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20BrN/c1-21-13-11-17(12-14-21)19(15-5-3-2-4-6-15)16-7-9-18(20)10-8-16/h2-10H,11-14H2,1H3.
What are the key properties of 4-[(4-bromophenyl)-phenylmethylidene]-1-methylpiperidine?
4-[(4-bromophenyl)-phenylmethylidene]-1-methylpiperidine has a molecular weight of 342.28 g/mol, XLogP of 4.98, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-bromophenyl)-phenylmethylidene]-1-methylpiperidine is sourced from PubChem (CID 3076343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).