1-[1-(2-bromophenyl)-3-methylbutan-2-yl]piperidine

C16H24BrN — CID 176959474

IUPAC1-[1-(2-bromophenyl)-3-methylbutan-2-yl]piperidine
SMILESCC(C)C(Cc1ccccc1Br)N1CCCCC1
InChIInChI=1S/C16H24BrN/c1-13(2)16(18-10-6-3-7-11-18)12-14-8-4-5-9-15(14)17/h4-5,8-9,13,16H,3,6-7,10-12H2,1-2H3
InChIKeyUQUQZHTYFZYZEY-UHFFFAOYSA-N
MW310.28 g/mol
LogP4.50
Rot. Bonds4

About 1-[1-(2-bromophenyl)-3-methylbutan-2-yl]piperidine

1-[1-(2-bromophenyl)-3-methylbutan-2-yl]piperidine (PubChem CID 176959474) has the molecular formula C16H24BrN and a molecular weight of 310.28 g/mol. Its IUPAC name is 1-[1-(2-bromophenyl)-3-methylbutan-2-yl]piperidine.

Molecular Properties

Compound Name1-[1-(2-bromophenyl)-3-methylbutan-2-yl]piperidine
PubChem CID176959474
Molecular FormulaC16H24BrN
Molecular Weight310.28 g/mol
Exact Mass309.11
IUPAC Name1-[1-(2-bromophenyl)-3-methylbutan-2-yl]piperidine
SMILESCC(C)C(Cc1ccccc1Br)N1CCCCC1
InChIInChI=1S/C16H24BrN/c1-13(2)16(18-10-6-3-7-11-18)12-14-8-4-5-9-15(14)17/h4-5,8-9,13,16H,3,6-7,10-12H2,1-2H3
InChIKeyUQUQZHTYFZYZEY-UHFFFAOYSA-N
XLogP4.50
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.28
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

[1-(2-bromophenyl)-3-methyl-3-piperidin-1-ylbutan-2-yl]hydrazine
CID 105239989
2-[(2-bromophenyl)methyl]-3-methylbutan-1-ol
CID 66060049
1-bromo-2-(3,3,3-trifluoro-2-methylpropyl)benzene
CID 134968828
1-(1-phenylpropan-2-yl)piperidine
CID 11321650
[1-(2-bromophenyl)-3-ethyl-3-pyrrolidin-1-ylpentan-2-yl]hydrazine
CID 105242253
[2-(2-bromophenyl)-1-cyclohexylethyl]hydrazine
CID 105201966
1-[1-amino-2-(2-bromophenyl)ethyl]-N,N-dimethylcyclohexan-1-amine
CID 79066221
1-bromo-2-(2,2-dimethoxyethyl)benzene
CID 11032130
N-[(2-bromophenyl)methyl]propan-2-amine
CID 11988160
N-[(2,3-dichlorophenyl)methyl]-3-methyl-2-pyrrolidin-1-ylbutan-1-amine
CID 43111449
2-[1-(2-bromophenyl)propan-2-yl]pyrrolidine
CID 83913487
N-[1-(3-bromothiophen-2-yl)ethyl]-3-methyl-2-pyrrolidin-1-ylbutan-1-amine
CID 43771631

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-bromophenyl)-3-methylbutan-2-yl]piperidine?
The IUPAC name of 1-[1-(2-bromophenyl)-3-methylbutan-2-yl]piperidine (CID 176959474) is 1-[1-(2-bromophenyl)-3-methylbutan-2-yl]piperidine.
What is the SMILES notation for 1-[1-(2-bromophenyl)-3-methylbutan-2-yl]piperidine?
The canonical SMILES for 1-[1-(2-bromophenyl)-3-methylbutan-2-yl]piperidine is CC(C)C(Cc1ccccc1Br)N1CCCCC1.
What is the InChIKey of 1-[1-(2-bromophenyl)-3-methylbutan-2-yl]piperidine?
The InChIKey is UQUQZHTYFZYZEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrN/c1-13(2)16(18-10-6-3-7-11-18)12-14-8-4-5-9-15(14)17/h4-5,8-9,13,16H,3,6-7,10-12H2,1-2H3.
What are the key properties of 1-[1-(2-bromophenyl)-3-methylbutan-2-yl]piperidine?
1-[1-(2-bromophenyl)-3-methylbutan-2-yl]piperidine has a molecular weight of 310.28 g/mol, XLogP of 4.50, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-bromophenyl)-3-methylbutan-2-yl]piperidine is sourced from PubChem (CID 176959474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).