1-[[1-(bromomethyl)cyclobutyl]methyl]-2-propylpiperidine

C14H26BrN — CID 83062041

IUPAC1-[[1-(bromomethyl)cyclobutyl]methyl]-2-propylpiperidine
SMILESCCCC1CCCCN1CC1(CBr)CCC1
InChIInChI=1S/C14H26BrN/c1-2-6-13-7-3-4-10-16(13)12-14(11-15)8-5-9-14/h13H,2-12H2,1H3
InChIKeyZBPRGPMNOPLWQP-UHFFFAOYSA-N
MW288.27 g/mol
LogP4.21
Rot. Bonds5

About 1-[[1-(bromomethyl)cyclobutyl]methyl]-2-propylpiperidine

1-[[1-(bromomethyl)cyclobutyl]methyl]-2-propylpiperidine (PubChem CID 83062041) has the molecular formula C14H26BrN and a molecular weight of 288.27 g/mol. Its IUPAC name is 1-[[1-(bromomethyl)cyclobutyl]methyl]-2-propylpiperidine.

Molecular Properties

Compound Name1-[[1-(bromomethyl)cyclobutyl]methyl]-2-propylpiperidine
PubChem CID83062041
Molecular FormulaC14H26BrN
Molecular Weight288.27 g/mol
Exact Mass287.12
IUPAC Name1-[[1-(bromomethyl)cyclobutyl]methyl]-2-propylpiperidine
SMILESCCCC1CCCCN1CC1(CBr)CCC1
InChIInChI=1S/C14H26BrN/c1-2-6-13-7-3-4-10-16(13)12-14(11-15)8-5-9-14/h13H,2-12H2,1H3
InChIKeyZBPRGPMNOPLWQP-UHFFFAOYSA-N
XLogP4.21
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.27
LogP ≤ 54.21
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

2-[1-[[1-(bromomethyl)cyclobutyl]methyl]piperidin-2-yl]ethanol
CID 65009301
1-[[1-(bromomethyl)cyclohexyl]methyl]-2-ethylazepane
CID 104691341
2-propyl-1-[(4-propylpiperidin-4-yl)methyl]piperidine
CID 83055880
[1-[[1-(bromomethyl)cyclobutyl]methyl]pyrrolidin-2-yl]methanol
CID 65009034
[4-[(2-propylpiperidin-1-yl)methyl]oxan-4-yl]methanol
CID 83062160
N-[[3-[(2-propylpiperidin-1-yl)methyl]oxan-3-yl]methyl]cyclopropanamine
CID 83045766
N-methyl-1-[4-[(2-propylpiperidin-1-yl)methyl]oxan-4-yl]methanamine
CID 83061995
3-[1-[[1-(bromomethyl)cyclopropyl]methyl]pyrrolidin-2-yl]propan-1-ol
CID 65013619
2-[1-[[1-(propylaminomethyl)cyclopentyl]methyl]piperidin-2-yl]ethanol
CID 62261936
N-[[4-[(2-propylpiperidin-1-yl)methyl]oxan-4-yl]methyl]propan-2-amine
CID 83045767
ethane;1-ethyl-2-propylpyrrolidine
CID 143005022
2-(2-propylpiperidin-1-yl)acetaldehyde
CID 83056562

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(bromomethyl)cyclobutyl]methyl]-2-propylpiperidine?
The IUPAC name of 1-[[1-(bromomethyl)cyclobutyl]methyl]-2-propylpiperidine (CID 83062041) is 1-[[1-(bromomethyl)cyclobutyl]methyl]-2-propylpiperidine.
What is the SMILES notation for 1-[[1-(bromomethyl)cyclobutyl]methyl]-2-propylpiperidine?
The canonical SMILES for 1-[[1-(bromomethyl)cyclobutyl]methyl]-2-propylpiperidine is CCCC1CCCCN1CC1(CBr)CCC1.
What is the InChIKey of 1-[[1-(bromomethyl)cyclobutyl]methyl]-2-propylpiperidine?
The InChIKey is ZBPRGPMNOPLWQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26BrN/c1-2-6-13-7-3-4-10-16(13)12-14(11-15)8-5-9-14/h13H,2-12H2,1H3.
What are the key properties of 1-[[1-(bromomethyl)cyclobutyl]methyl]-2-propylpiperidine?
1-[[1-(bromomethyl)cyclobutyl]methyl]-2-propylpiperidine has a molecular weight of 288.27 g/mol, XLogP of 4.21, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(bromomethyl)cyclobutyl]methyl]-2-propylpiperidine is sourced from PubChem (CID 83062041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).