4-bromo-1-propan-2-ylpiperidine

C8H16BrN — CID 67026231

IUPAC4-bromo-1-propan-2-ylpiperidine
SMILESCC(C)N1CCC(Br)CC1
InChIInChI=1S/C8H16BrN/c1-7(2)10-5-3-8(9)4-6-10/h7-8H,3-6H2,1-2H3
InChIKeyAMWCBZBBNASQDZ-UHFFFAOYSA-N
MW206.13 g/mol
LogP2.25
Rot. Bonds1

About 4-bromo-1-propan-2-ylpiperidine

4-bromo-1-propan-2-ylpiperidine (PubChem CID 67026231) has the molecular formula C8H16BrN and a molecular weight of 206.13 g/mol. Its IUPAC name is 4-bromo-1-propan-2-ylpiperidine.

Molecular Properties

Compound Name4-bromo-1-propan-2-ylpiperidine
PubChem CID67026231
Molecular FormulaC8H16BrN
Molecular Weight206.13 g/mol
Exact Mass205.05
IUPAC Name4-bromo-1-propan-2-ylpiperidine
SMILESCC(C)N1CCC(Br)CC1
InChIInChI=1S/C8H16BrN/c1-7(2)10-5-3-8(9)4-6-10/h7-8H,3-6H2,1-2H3
InChIKeyAMWCBZBBNASQDZ-UHFFFAOYSA-N
XLogP2.25
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.13
LogP ≤ 52.25
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-propan-2-yl-4-(1-propan-2-ylpiperidin-4-yl)piperidine
CID 59059970
4-cyclopropyl-1-propan-2-ylpiperidine
CID 70331530
1,4-di(propan-2-yl)piperidine
CID 21303253
(1-propan-2-ylpiperidin-4-yl)arsane
CID 173205346
methane;1-propan-2-ylpiperidin-4-ol
CID 158347030
4-(1-iodoethyl)-1-propan-2-ylpiperidine
CID 126675083
3-bromo-1-butan-2-ylpyrrolidine
CID 80675941
4-methyl-1-propan-2-ylpiperidine;sulfur dioxide
CID 161459747
ethane;1-(1-propan-2-ylpiperidin-4-yl)ethanone
CID 177135939
methane;1-(1-propan-2-ylpiperidin-4-yl)ethanamine
CID 158419714
4-(azetidin-1-yl)-1-propan-2-ylpiperidine
CID 21054794
4-[(3R)-3-fluoropyrrolidin-1-yl]-1-propan-2-ylpiperidine
CID 156546117

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-propan-2-ylpiperidine?
The IUPAC name of 4-bromo-1-propan-2-ylpiperidine (CID 67026231) is 4-bromo-1-propan-2-ylpiperidine.
What is the SMILES notation for 4-bromo-1-propan-2-ylpiperidine?
The canonical SMILES for 4-bromo-1-propan-2-ylpiperidine is CC(C)N1CCC(Br)CC1.
What is the InChIKey of 4-bromo-1-propan-2-ylpiperidine?
The InChIKey is AMWCBZBBNASQDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16BrN/c1-7(2)10-5-3-8(9)4-6-10/h7-8H,3-6H2,1-2H3.
What are the key properties of 4-bromo-1-propan-2-ylpiperidine?
4-bromo-1-propan-2-ylpiperidine has a molecular weight of 206.13 g/mol, XLogP of 2.25, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-propan-2-ylpiperidine is sourced from PubChem (CID 67026231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).