3-(3-bromophenyl)-4-methyl-4-propan-2-ylpiperidine

C15H22BrN — CID 79430058

IUPAC3-(3-bromophenyl)-4-methyl-4-propan-2-ylpiperidine
SMILESCC(C)C1(C)CCNCC1c1cccc(Br)c1
InChIInChI=1S/C15H22BrN/c1-11(2)15(3)7-8-17-10-14(15)12-5-4-6-13(16)9-12/h4-6,9,11,14,17H,7-8,10H2,1-3H3
InChIKeyZJEZXCWHHAZWEA-UHFFFAOYSA-N
MW296.25 g/mol
LogP4.19
Rot. Bonds2

About 3-(3-bromophenyl)-4-methyl-4-propan-2-ylpiperidine

3-(3-bromophenyl)-4-methyl-4-propan-2-ylpiperidine (PubChem CID 79430058) has the molecular formula C15H22BrN and a molecular weight of 296.25 g/mol. Its IUPAC name is 3-(3-bromophenyl)-4-methyl-4-propan-2-ylpiperidine.

Molecular Properties

Compound Name3-(3-bromophenyl)-4-methyl-4-propan-2-ylpiperidine
PubChem CID79430058
Molecular FormulaC15H22BrN
Molecular Weight296.25 g/mol
Exact Mass295.09
IUPAC Name3-(3-bromophenyl)-4-methyl-4-propan-2-ylpiperidine
SMILESCC(C)C1(C)CCNCC1c1cccc(Br)c1
InChIInChI=1S/C15H22BrN/c1-11(2)15(3)7-8-17-10-14(15)12-5-4-6-13(16)9-12/h4-6,9,11,14,17H,7-8,10H2,1-3H3
InChIKeyZJEZXCWHHAZWEA-UHFFFAOYSA-N
XLogP4.19
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.25
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(3-bromophenyl)-4-methyl-4-propan-2-ylpiperidine?
The IUPAC name of 3-(3-bromophenyl)-4-methyl-4-propan-2-ylpiperidine (CID 79430058) is 3-(3-bromophenyl)-4-methyl-4-propan-2-ylpiperidine.
What is the SMILES notation for 3-(3-bromophenyl)-4-methyl-4-propan-2-ylpiperidine?
The canonical SMILES for 3-(3-bromophenyl)-4-methyl-4-propan-2-ylpiperidine is CC(C)C1(C)CCNCC1c1cccc(Br)c1.
What is the InChIKey of 3-(3-bromophenyl)-4-methyl-4-propan-2-ylpiperidine?
The InChIKey is ZJEZXCWHHAZWEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrN/c1-11(2)15(3)7-8-17-10-14(15)12-5-4-6-13(16)9-12/h4-6,9,11,14,17H,7-8,10H2,1-3H3.
What are the key properties of 3-(3-bromophenyl)-4-methyl-4-propan-2-ylpiperidine?
3-(3-bromophenyl)-4-methyl-4-propan-2-ylpiperidine has a molecular weight of 296.25 g/mol, XLogP of 4.19, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromophenyl)-4-methyl-4-propan-2-ylpiperidine is sourced from PubChem (CID 79430058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).