1-[4-(4-bromophenyl)-4-(4-methylphenyl)piperidin-1-yl]ethanimine

C20H23BrN2 — CID 143066792

IUPAC1-[4-(4-bromophenyl)-4-(4-methylphenyl)piperidin-1-yl]ethanimine
SMILES[H]/N=C(\C)N1CCC(c2ccc(C)cc2)(c2ccc(Br)cc2)CC1
InChIInChI=1S/C20H23BrN2/c1-15-3-5-17(6-4-15)20(18-7-9-19(21)10-8-18)11-13-23(14-12-20)16(2)22/h3-10,22H,11-14H2,1-2H3/b22-16+
InChIKeyKCZWOSQXBCVSFM-CJLVFECKSA-N
MW371.32 g/mol
LogP5.14
Rot. Bonds2

About 1-[4-(4-bromophenyl)-4-(4-methylphenyl)piperidin-1-yl]ethanimine

1-[4-(4-bromophenyl)-4-(4-methylphenyl)piperidin-1-yl]ethanimine (PubChem CID 143066792) has the molecular formula C20H23BrN2 and a molecular weight of 371.32 g/mol. Its IUPAC name is 1-[4-(4-bromophenyl)-4-(4-methylphenyl)piperidin-1-yl]ethanimine.

Molecular Properties

Compound Name1-[4-(4-bromophenyl)-4-(4-methylphenyl)piperidin-1-yl]ethanimine
PubChem CID143066792
Molecular FormulaC20H23BrN2
Molecular Weight371.32 g/mol
Exact Mass370.10
IUPAC Name1-[4-(4-bromophenyl)-4-(4-methylphenyl)piperidin-1-yl]ethanimine
SMILES[H]/N=C(\C)N1CCC(c2ccc(C)cc2)(c2ccc(Br)cc2)CC1
InChIInChI=1S/C20H23BrN2/c1-15-3-5-17(6-4-15)20(18-7-9-19(21)10-8-18)11-13-23(14-12-20)16(2)22/h3-10,22H,11-14H2,1-2H3/b22-16+
InChIKeyKCZWOSQXBCVSFM-CJLVFECKSA-N
XLogP5.14
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.32
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-bromophenyl)-4-(4-methylphenyl)piperidin-1-yl]ethanimine?
The IUPAC name of 1-[4-(4-bromophenyl)-4-(4-methylphenyl)piperidin-1-yl]ethanimine (CID 143066792) is 1-[4-(4-bromophenyl)-4-(4-methylphenyl)piperidin-1-yl]ethanimine.
What is the SMILES notation for 1-[4-(4-bromophenyl)-4-(4-methylphenyl)piperidin-1-yl]ethanimine?
The canonical SMILES for 1-[4-(4-bromophenyl)-4-(4-methylphenyl)piperidin-1-yl]ethanimine is [H]/N=C(\C)N1CCC(c2ccc(C)cc2)(c2ccc(Br)cc2)CC1.
What is the InChIKey of 1-[4-(4-bromophenyl)-4-(4-methylphenyl)piperidin-1-yl]ethanimine?
The InChIKey is KCZWOSQXBCVSFM-CJLVFECKSA-N. The full InChI is InChI=1S/C20H23BrN2/c1-15-3-5-17(6-4-15)20(18-7-9-19(21)10-8-18)11-13-23(14-12-20)16(2)22/h3-10,22H,11-14H2,1-2H3/b22-16+.
What are the key properties of 1-[4-(4-bromophenyl)-4-(4-methylphenyl)piperidin-1-yl]ethanimine?
1-[4-(4-bromophenyl)-4-(4-methylphenyl)piperidin-1-yl]ethanimine has a molecular weight of 371.32 g/mol, XLogP of 5.14, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-bromophenyl)-4-(4-methylphenyl)piperidin-1-yl]ethanimine is sourced from PubChem (CID 143066792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).