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

C19H21BrClN — CID 3076342

IUPAC4-[(4-bromophenyl)-phenylmethylidene]-1-methylpiperidine;hydrochloride
SMILESCN1CCC(=C(c2ccccc2)c2ccc(Br)cc2)CC1.Cl
InChIInChI=1S/C19H20BrN.ClH/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;1H
InChIKeyAQAUOALBGUGYDN-UHFFFAOYSA-N
MW378.74 g/mol
LogP5.40
Rot. Bonds2

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

4-[(4-bromophenyl)-phenylmethylidene]-1-methylpiperidine;hydrochloride (PubChem CID 3076342) has the molecular formula C19H21BrClN and a molecular weight of 378.74 g/mol. Its IUPAC name is 4-[(4-bromophenyl)-phenylmethylidene]-1-methylpiperidine;hydrochloride.

Molecular Properties

Compound Name4-[(4-bromophenyl)-phenylmethylidene]-1-methylpiperidine;hydrochloride
PubChem CID3076342
Molecular FormulaC19H21BrClN
Molecular Weight378.74 g/mol
Exact Mass377.05
IUPAC Name4-[(4-bromophenyl)-phenylmethylidene]-1-methylpiperidine;hydrochloride
SMILESCN1CCC(=C(c2ccccc2)c2ccc(Br)cc2)CC1.Cl
InChIInChI=1S/C19H20BrN.ClH/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;1H
InChIKeyAQAUOALBGUGYDN-UHFFFAOYSA-N
XLogP5.40
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.74
LogP ≤ 55.40
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;hydrochloride?
The IUPAC name of 4-[(4-bromophenyl)-phenylmethylidene]-1-methylpiperidine;hydrochloride (CID 3076342) is 4-[(4-bromophenyl)-phenylmethylidene]-1-methylpiperidine;hydrochloride.
What is the SMILES notation for 4-[(4-bromophenyl)-phenylmethylidene]-1-methylpiperidine;hydrochloride?
The canonical SMILES for 4-[(4-bromophenyl)-phenylmethylidene]-1-methylpiperidine;hydrochloride is CN1CCC(=C(c2ccccc2)c2ccc(Br)cc2)CC1.Cl.
What is the InChIKey of 4-[(4-bromophenyl)-phenylmethylidene]-1-methylpiperidine;hydrochloride?
The InChIKey is AQAUOALBGUGYDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20BrN.ClH/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;1H.
What are the key properties of 4-[(4-bromophenyl)-phenylmethylidene]-1-methylpiperidine;hydrochloride?
4-[(4-bromophenyl)-phenylmethylidene]-1-methylpiperidine;hydrochloride has a molecular weight of 378.74 g/mol, XLogP of 5.40, 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;hydrochloride is sourced from PubChem (CID 3076342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).