2-(2-bromoethyl)-1-[(5-methyloxolan-2-yl)methyl]piperidine

C13H24BrNO — CID 103139867

IUPAC2-(2-bromoethyl)-1-[(5-methyloxolan-2-yl)methyl]piperidine
SMILESCC1CCC(CN2CCCCC2CCBr)O1
InChIInChI=1S/C13H24BrNO/c1-11-5-6-13(16-11)10-15-9-3-2-4-12(15)7-8-14/h11-13H,2-10H2,1H3
InChIKeyFWCGGSSRIVDZPI-UHFFFAOYSA-N
MW290.25 g/mol
LogP3.19
Rot. Bonds4

About 2-(2-bromoethyl)-1-[(5-methyloxolan-2-yl)methyl]piperidine

2-(2-bromoethyl)-1-[(5-methyloxolan-2-yl)methyl]piperidine (PubChem CID 103139867) has the molecular formula C13H24BrNO and a molecular weight of 290.25 g/mol. Its IUPAC name is 2-(2-bromoethyl)-1-[(5-methyloxolan-2-yl)methyl]piperidine.

Molecular Properties

Compound Name2-(2-bromoethyl)-1-[(5-methyloxolan-2-yl)methyl]piperidine
PubChem CID103139867
Molecular FormulaC13H24BrNO
Molecular Weight290.25 g/mol
Exact Mass289.10
IUPAC Name2-(2-bromoethyl)-1-[(5-methyloxolan-2-yl)methyl]piperidine
SMILESCC1CCC(CN2CCCCC2CCBr)O1
InChIInChI=1S/C13H24BrNO/c1-11-5-6-13(16-11)10-15-9-3-2-4-12(15)7-8-14/h11-13H,2-10H2,1H3
InChIKeyFWCGGSSRIVDZPI-UHFFFAOYSA-N
XLogP3.19
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.25
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[1-[[(2S,6R)-6-methylmorpholin-2-yl]methyl]piperidin-2-yl]methanol
CID 141468073
1-(1-ethylpyrrolidin-2-yl)-N-[(5-methyloxolan-2-yl)methyl]methanamine
CID 82835069
4-(bromomethyl)-1-[(5-methyloxolan-2-yl)methyl]piperidine
CID 103139885
2-(2-bromoethyl)-1-[2-(2-methylpyrazol-3-yl)ethyl]piperidine
CID 103015231
N-[(5-methyloxolan-2-yl)methyl]-1-(1-methylpiperidin-2-yl)methanamine
CID 82836268
[5-[(2-methylpiperidin-1-yl)methyl]oxolan-2-yl]methanamine
CID 62438305
2-(2-bromoethyl)-1-[(3,4-dimethylphenyl)methyl]piperidine
CID 80670822
7-methyl-1-[(5-methyloxolan-2-yl)methyl]-1,4-diazepane
CID 103141669
2-[(5-methyloxolan-2-yl)methyl]-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol
CID 103137662
tert-butyl (2R)-1-[(5-methyloxolan-2-yl)methyl]pyrrolidine-2-carboxylate
CID 103137539
2-(2-bromoethyl)-1-[(5-bromothiophen-2-yl)methyl]piperidine
CID 80671588
2-(bromomethyl)-1-(cyclopropylmethyl)azepane
CID 116638384

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromoethyl)-1-[(5-methyloxolan-2-yl)methyl]piperidine?
The IUPAC name of 2-(2-bromoethyl)-1-[(5-methyloxolan-2-yl)methyl]piperidine (CID 103139867) is 2-(2-bromoethyl)-1-[(5-methyloxolan-2-yl)methyl]piperidine.
What is the SMILES notation for 2-(2-bromoethyl)-1-[(5-methyloxolan-2-yl)methyl]piperidine?
The canonical SMILES for 2-(2-bromoethyl)-1-[(5-methyloxolan-2-yl)methyl]piperidine is CC1CCC(CN2CCCCC2CCBr)O1.
What is the InChIKey of 2-(2-bromoethyl)-1-[(5-methyloxolan-2-yl)methyl]piperidine?
The InChIKey is FWCGGSSRIVDZPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24BrNO/c1-11-5-6-13(16-11)10-15-9-3-2-4-12(15)7-8-14/h11-13H,2-10H2,1H3.
What are the key properties of 2-(2-bromoethyl)-1-[(5-methyloxolan-2-yl)methyl]piperidine?
2-(2-bromoethyl)-1-[(5-methyloxolan-2-yl)methyl]piperidine has a molecular weight of 290.25 g/mol, XLogP of 3.19, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromoethyl)-1-[(5-methyloxolan-2-yl)methyl]piperidine is sourced from PubChem (CID 103139867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).