1-(2-bromoethyl)-4-propan-2-ylpiperidine

C10H20BrN — CID 103501528

IUPAC1-(2-bromoethyl)-4-propan-2-ylpiperidine
SMILESCC(C)C1CCN(CCBr)CC1
InChIInChI=1S/C10H20BrN/c1-9(2)10-3-6-12(7-4-10)8-5-11/h9-10H,3-8H2,1-2H3
InChIKeyGHPUCOZVQTXTEM-UHFFFAOYSA-N
MW234.18 g/mol
LogP2.75
Rot. Bonds3

About 1-(2-bromoethyl)-4-propan-2-ylpiperidine

1-(2-bromoethyl)-4-propan-2-ylpiperidine (PubChem CID 103501528) has the molecular formula C10H20BrN and a molecular weight of 234.18 g/mol. Its IUPAC name is 1-(2-bromoethyl)-4-propan-2-ylpiperidine.

Molecular Properties

Compound Name1-(2-bromoethyl)-4-propan-2-ylpiperidine
PubChem CID103501528
Molecular FormulaC10H20BrN
Molecular Weight234.18 g/mol
Exact Mass233.08
IUPAC Name1-(2-bromoethyl)-4-propan-2-ylpiperidine
SMILESCC(C)C1CCN(CCBr)CC1
InChIInChI=1S/C10H20BrN/c1-9(2)10-3-6-12(7-4-10)8-5-11/h9-10H,3-8H2,1-2H3
InChIKeyGHPUCOZVQTXTEM-UHFFFAOYSA-N
XLogP2.75
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.18
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-cyclopropyl-3-(4-propan-2-ylpiperidin-1-yl)propan-1-amine
CID 103497340
1-(2-bromoethyl)-4-propylpiperidine
CID 62206641
1-(3,3-dimethylbutyl)-4-propan-2-ylpiperidine
CID 135173969
1-(2-methylsulfanylethyl)-4-propan-2-ylpiperidine
CID 59762113
1-decyl-4-propan-2-ylpiperidine
CID 166461232
1-pent-4-ynyl-4-propan-2-ylpiperidine
CID 103878594
1-(2-methylsulfinylethyl)-4-propan-2-ylpiperidine
CID 59762014
1-methyl-4-[5-(4-propan-2-ylpiperidin-1-yl)pentyl]piperazine
CID 163269266
1-(2-cyclobutylethyl)-4-propan-2-ylpiperidine
CID 176983543
1-(2-bromoethyl)-4-ethoxypiperidine
CID 61288374
1-(iodomethyl)-4-propan-2-ylpiperidine
CID 149079788
1-(2-bromoethyl)-4-methoxypiperidine
CID 61286304

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromoethyl)-4-propan-2-ylpiperidine?
The IUPAC name of 1-(2-bromoethyl)-4-propan-2-ylpiperidine (CID 103501528) is 1-(2-bromoethyl)-4-propan-2-ylpiperidine.
What is the SMILES notation for 1-(2-bromoethyl)-4-propan-2-ylpiperidine?
The canonical SMILES for 1-(2-bromoethyl)-4-propan-2-ylpiperidine is CC(C)C1CCN(CCBr)CC1.
What is the InChIKey of 1-(2-bromoethyl)-4-propan-2-ylpiperidine?
The InChIKey is GHPUCOZVQTXTEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20BrN/c1-9(2)10-3-6-12(7-4-10)8-5-11/h9-10H,3-8H2,1-2H3.
What are the key properties of 1-(2-bromoethyl)-4-propan-2-ylpiperidine?
1-(2-bromoethyl)-4-propan-2-ylpiperidine has a molecular weight of 234.18 g/mol, XLogP of 2.75, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromoethyl)-4-propan-2-ylpiperidine is sourced from PubChem (CID 103501528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).