1-(4-bromophenyl)-1-[1-(1,4-dimethylpiperidin-4-yl)piperidin-4-yl]-N-ethylmethanimine

C21H32BrN3 — CID 146369922

IUPAC1-(4-bromophenyl)-1-[1-(1,4-dimethylpiperidin-4-yl)piperidin-4-yl]-N-ethylmethanimine
SMILESCC/N=C(\c1ccc(Br)cc1)C1CCN(C2(C)CCN(C)CC2)CC1
InChIInChI=1S/C21H32BrN3/c1-4-23-20(17-5-7-19(22)8-6-17)18-9-13-25(14-10-18)21(2)11-15-24(3)16-12-21/h5-8,18H,4,9-16H2,1-3H3/b23-20+
InChIKeyAJWDJUKWBKMXKC-BSYVCWPDSA-N
MW406.41 g/mol
LogP4.45
Rot. Bonds4

About 1-(4-bromophenyl)-1-[1-(1,4-dimethylpiperidin-4-yl)piperidin-4-yl]-N-ethylmethanimine

1-(4-bromophenyl)-1-[1-(1,4-dimethylpiperidin-4-yl)piperidin-4-yl]-N-ethylmethanimine (PubChem CID 146369922) has the molecular formula C21H32BrN3 and a molecular weight of 406.41 g/mol. Its IUPAC name is 1-(4-bromophenyl)-1-[1-(1,4-dimethylpiperidin-4-yl)piperidin-4-yl]-N-ethylmethanimine.

Molecular Properties

Compound Name1-(4-bromophenyl)-1-[1-(1,4-dimethylpiperidin-4-yl)piperidin-4-yl]-N-ethylmethanimine
PubChem CID146369922
Molecular FormulaC21H32BrN3
Molecular Weight406.41 g/mol
Exact Mass405.18
IUPAC Name1-(4-bromophenyl)-1-[1-(1,4-dimethylpiperidin-4-yl)piperidin-4-yl]-N-ethylmethanimine
SMILESCC/N=C(\c1ccc(Br)cc1)C1CCN(C2(C)CCN(C)CC2)CC1
InChIInChI=1S/C21H32BrN3/c1-4-23-20(17-5-7-19(22)8-6-17)18-9-13-25(14-10-18)21(2)11-15-24(3)16-12-21/h5-8,18H,4,9-16H2,1-3H3/b23-20+
InChIKeyAJWDJUKWBKMXKC-BSYVCWPDSA-N
XLogP4.45
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.41
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-1-[1-(1,4-dimethylpiperidin-4-yl)piperidin-4-yl]-N-ethylmethanimine?
The IUPAC name of 1-(4-bromophenyl)-1-[1-(1,4-dimethylpiperidin-4-yl)piperidin-4-yl]-N-ethylmethanimine (CID 146369922) is 1-(4-bromophenyl)-1-[1-(1,4-dimethylpiperidin-4-yl)piperidin-4-yl]-N-ethylmethanimine.
What is the SMILES notation for 1-(4-bromophenyl)-1-[1-(1,4-dimethylpiperidin-4-yl)piperidin-4-yl]-N-ethylmethanimine?
The canonical SMILES for 1-(4-bromophenyl)-1-[1-(1,4-dimethylpiperidin-4-yl)piperidin-4-yl]-N-ethylmethanimine is CC/N=C(\c1ccc(Br)cc1)C1CCN(C2(C)CCN(C)CC2)CC1.
What is the InChIKey of 1-(4-bromophenyl)-1-[1-(1,4-dimethylpiperidin-4-yl)piperidin-4-yl]-N-ethylmethanimine?
The InChIKey is AJWDJUKWBKMXKC-BSYVCWPDSA-N. The full InChI is InChI=1S/C21H32BrN3/c1-4-23-20(17-5-7-19(22)8-6-17)18-9-13-25(14-10-18)21(2)11-15-24(3)16-12-21/h5-8,18H,4,9-16H2,1-3H3/b23-20+.
What are the key properties of 1-(4-bromophenyl)-1-[1-(1,4-dimethylpiperidin-4-yl)piperidin-4-yl]-N-ethylmethanimine?
1-(4-bromophenyl)-1-[1-(1,4-dimethylpiperidin-4-yl)piperidin-4-yl]-N-ethylmethanimine has a molecular weight of 406.41 g/mol, XLogP of 4.45, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-1-[1-(1,4-dimethylpiperidin-4-yl)piperidin-4-yl]-N-ethylmethanimine is sourced from PubChem (CID 146369922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).