4-[(2-bromo-5-methylphenyl)methyl]-1-[1-(2-methylphenyl)propan-2-yl]piperidine

C23H30BrN — CID 59105356

IUPAC4-[(2-bromo-5-methylphenyl)methyl]-1-[1-(2-methylphenyl)propan-2-yl]piperidine
SMILESCc1ccc(Br)c(CC2CCN(C(C)Cc3ccccc3C)CC2)c1
InChIInChI=1S/C23H30BrN/c1-17-8-9-23(24)22(14-17)16-20-10-12-25(13-11-20)19(3)15-21-7-5-4-6-18(21)2/h4-9,14,19-20H,10-13,15-16H2,1-3H3
InChIKeyFLOJFCIAEWWJPU-UHFFFAOYSA-N
MW400.40 g/mol
LogP5.95
Rot. Bonds5

About 4-[(2-bromo-5-methylphenyl)methyl]-1-[1-(2-methylphenyl)propan-2-yl]piperidine

4-[(2-bromo-5-methylphenyl)methyl]-1-[1-(2-methylphenyl)propan-2-yl]piperidine (PubChem CID 59105356) has the molecular formula C23H30BrN and a molecular weight of 400.40 g/mol. Its IUPAC name is 4-[(2-bromo-5-methylphenyl)methyl]-1-[1-(2-methylphenyl)propan-2-yl]piperidine.

Molecular Properties

Compound Name4-[(2-bromo-5-methylphenyl)methyl]-1-[1-(2-methylphenyl)propan-2-yl]piperidine
PubChem CID59105356
Molecular FormulaC23H30BrN
Molecular Weight400.40 g/mol
Exact Mass399.16
IUPAC Name4-[(2-bromo-5-methylphenyl)methyl]-1-[1-(2-methylphenyl)propan-2-yl]piperidine
SMILESCc1ccc(Br)c(CC2CCN(C(C)Cc3ccccc3C)CC2)c1
InChIInChI=1S/C23H30BrN/c1-17-8-9-23(24)22(14-17)16-20-10-12-25(13-11-20)19(3)15-21-7-5-4-6-18(21)2/h4-9,14,19-20H,10-13,15-16H2,1-3H3
InChIKeyFLOJFCIAEWWJPU-UHFFFAOYSA-N
XLogP5.95
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.40
LogP ≤ 55.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Piperidine, 4-((4-bromophenyl)phenylmethylene)-1-methyl-, hydrochloride
CID 3076342
4-Benzyl-1-(2-bromobenzyl)piperidine
CID 791158
4-(3-Bromo-dibenzo[a,d]cyclohepten-5-ylidene)-1-methyl-piperidine
CID 23343659
1-[(4-Bromophenyl)-phenylmethyl]-4-ethylpiperazine
CID 118119342
(2S,4S)-4-(2-bromophenyl)-N,N-dimethyl-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride
CID 118729235
(2R,4R)-4-(2-bromophenyl)-N,N-dimethyl-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride
CID 118729237
(2S,4R)-4-(4-bromophenyl)-N,N-dimethyl-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride
CID 118729245
(2R,4S)-4-(4-bromophenyl)-N,N-dimethyl-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride
CID 118729247
(1S)-11-[(4-bromophenyl)methyl]-11-azatricyclo[7.4.1.05,14]tetradeca-2,5(14),6,8-tetraene
CID 44142225
WO2023288027, Cmpd 3a(2R,4R)
CID 90329587
WO2023288027, Cmpd 3a(2S,4S)
CID 166638656
Piperidinium, 1-(4-(o-bromophenyl)-2-butenyl)-1-(3-methyl-4-phenyl-2-butenyl)-, chloride
CID 6445388

Frequently Asked Questions

What is the IUPAC name of 4-[(2-bromo-5-methylphenyl)methyl]-1-[1-(2-methylphenyl)propan-2-yl]piperidine?
The IUPAC name of 4-[(2-bromo-5-methylphenyl)methyl]-1-[1-(2-methylphenyl)propan-2-yl]piperidine (CID 59105356) is 4-[(2-bromo-5-methylphenyl)methyl]-1-[1-(2-methylphenyl)propan-2-yl]piperidine.
What is the SMILES notation for 4-[(2-bromo-5-methylphenyl)methyl]-1-[1-(2-methylphenyl)propan-2-yl]piperidine?
The canonical SMILES for 4-[(2-bromo-5-methylphenyl)methyl]-1-[1-(2-methylphenyl)propan-2-yl]piperidine is Cc1ccc(Br)c(CC2CCN(C(C)Cc3ccccc3C)CC2)c1.
What is the InChIKey of 4-[(2-bromo-5-methylphenyl)methyl]-1-[1-(2-methylphenyl)propan-2-yl]piperidine?
The InChIKey is FLOJFCIAEWWJPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30BrN/c1-17-8-9-23(24)22(14-17)16-20-10-12-25(13-11-20)19(3)15-21-7-5-4-6-18(21)2/h4-9,14,19-20H,10-13,15-16H2,1-3H3.
What are the key properties of 4-[(2-bromo-5-methylphenyl)methyl]-1-[1-(2-methylphenyl)propan-2-yl]piperidine?
4-[(2-bromo-5-methylphenyl)methyl]-1-[1-(2-methylphenyl)propan-2-yl]piperidine has a molecular weight of 400.40 g/mol, XLogP of 5.95, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-bromo-5-methylphenyl)methyl]-1-[1-(2-methylphenyl)propan-2-yl]piperidine is sourced from PubChem (CID 59105356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).