4-(4-bromo-3-methylphenyl)-3-(4-chlorophenyl)piperidine

C18H19BrClN — CID 79433373

IUPAC4-(4-bromo-3-methylphenyl)-3-(4-chlorophenyl)piperidine
SMILESCc1cc(C2CCNCC2c2ccc(Cl)cc2)ccc1Br
InChIInChI=1S/C18H19BrClN/c1-12-10-14(4-7-18(12)19)16-8-9-21-11-17(16)13-2-5-15(20)6-3-13/h2-7,10,16-17,21H,8-9,11H2,1H3
InChIKeyHGDYQARNMMGNJD-UHFFFAOYSA-N
MW364.71 g/mol
LogP5.27
Rot. Bonds2

About 4-(4-bromo-3-methylphenyl)-3-(4-chlorophenyl)piperidine

4-(4-bromo-3-methylphenyl)-3-(4-chlorophenyl)piperidine (PubChem CID 79433373) has the molecular formula C18H19BrClN and a molecular weight of 364.71 g/mol. Its IUPAC name is 4-(4-bromo-3-methylphenyl)-3-(4-chlorophenyl)piperidine.

Molecular Properties

Compound Name4-(4-bromo-3-methylphenyl)-3-(4-chlorophenyl)piperidine
PubChem CID79433373
Molecular FormulaC18H19BrClN
Molecular Weight364.71 g/mol
Exact Mass363.04
IUPAC Name4-(4-bromo-3-methylphenyl)-3-(4-chlorophenyl)piperidine
SMILESCc1cc(C2CCNCC2c2ccc(Cl)cc2)ccc1Br
InChIInChI=1S/C18H19BrClN/c1-12-10-14(4-7-18(12)19)16-8-9-21-11-17(16)13-2-5-15(20)6-3-13/h2-7,10,16-17,21H,8-9,11H2,1H3
InChIKeyHGDYQARNMMGNJD-UHFFFAOYSA-N
XLogP5.27
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.71
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3,4-bis(4-chlorophenyl)piperidine
CID 79434307
4-(4-bromo-3-methylphenyl)-3-(3-fluorophenyl)piperidine
CID 79430023
4-(4-chloro-3-fluorophenyl)-3-(4-chlorophenyl)piperidine
CID 79433397
4-(3-chloro-4-methylphenyl)-3-phenylpiperidine
CID 106819222
4-(4-bromo-3-methylphenyl)-3-propylpiperidine
CID 79321007
(3R,4R)-3-(4-chlorophenyl)-4-methylpiperidine
CID 70225291
3-(4-chlorophenyl)-4-methoxypiperidine
CID 117236496
3-(4-chlorophenyl)-4-(2,6-difluorophenyl)piperidine
CID 79433603
3-(3-chlorophenyl)-4-(3,4-difluorophenyl)piperidine
CID 79433508
3-(3-bromophenyl)-4-(3,4-dichlorophenyl)piperidine
CID 79430909
3-[3-(4-chlorophenyl)piperidin-4-yl]pyridine
CID 79434183
4-(3-methylphenyl)-3-phenylpiperidine
CID 79312119

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromo-3-methylphenyl)-3-(4-chlorophenyl)piperidine?
The IUPAC name of 4-(4-bromo-3-methylphenyl)-3-(4-chlorophenyl)piperidine (CID 79433373) is 4-(4-bromo-3-methylphenyl)-3-(4-chlorophenyl)piperidine.
What is the SMILES notation for 4-(4-bromo-3-methylphenyl)-3-(4-chlorophenyl)piperidine?
The canonical SMILES for 4-(4-bromo-3-methylphenyl)-3-(4-chlorophenyl)piperidine is Cc1cc(C2CCNCC2c2ccc(Cl)cc2)ccc1Br.
What is the InChIKey of 4-(4-bromo-3-methylphenyl)-3-(4-chlorophenyl)piperidine?
The InChIKey is HGDYQARNMMGNJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrClN/c1-12-10-14(4-7-18(12)19)16-8-9-21-11-17(16)13-2-5-15(20)6-3-13/h2-7,10,16-17,21H,8-9,11H2,1H3.
What are the key properties of 4-(4-bromo-3-methylphenyl)-3-(4-chlorophenyl)piperidine?
4-(4-bromo-3-methylphenyl)-3-(4-chlorophenyl)piperidine has a molecular weight of 364.71 g/mol, XLogP of 5.27, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromo-3-methylphenyl)-3-(4-chlorophenyl)piperidine is sourced from PubChem (CID 79433373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).