1-(3-bromopropyl)-3-(methoxymethyl)piperidine

C10H20BrNO — CID 106588360

IUPAC1-(3-bromopropyl)-3-(methoxymethyl)piperidine
SMILESCOCC1CCCN(CCCBr)C1
InChIInChI=1S/C10H20BrNO/c1-13-9-10-4-2-6-12(8-10)7-3-5-11/h10H,2-9H2,1H3
InChIKeyQGAUQTROHDNZKC-UHFFFAOYSA-N
MW250.18 g/mol
LogP2.13
Rot. Bonds5

About 1-(3-bromopropyl)-3-(methoxymethyl)piperidine

1-(3-bromopropyl)-3-(methoxymethyl)piperidine (PubChem CID 106588360) has the molecular formula C10H20BrNO and a molecular weight of 250.18 g/mol. Its IUPAC name is 1-(3-bromopropyl)-3-(methoxymethyl)piperidine.

Molecular Properties

Compound Name1-(3-bromopropyl)-3-(methoxymethyl)piperidine
PubChem CID106588360
Molecular FormulaC10H20BrNO
Molecular Weight250.18 g/mol
Exact Mass249.07
IUPAC Name1-(3-bromopropyl)-3-(methoxymethyl)piperidine
SMILESCOCC1CCCN(CCCBr)C1
InChIInChI=1S/C10H20BrNO/c1-13-9-10-4-2-6-12(8-10)7-3-5-11/h10H,2-9H2,1H3
InChIKeyQGAUQTROHDNZKC-UHFFFAOYSA-N
XLogP2.13
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.18
LogP ≤ 52.13
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

6-[3-(methoxymethyl)piperidin-1-yl]hexane-1-thiol
CID 106590054
6-[3-(methoxymethyl)piperidin-1-yl]hexan-1-amine
CID 106587405
5-[3-(methoxymethyl)piperidin-1-yl]pentan-2-ol
CID 103274720
5-[3-(methoxymethyl)piperidin-1-yl]-2-methylpentan-2-amine
CID 106587473
(3S)-3-(methoxymethyl)-1-[2-(2-methylpropoxy)ethyl]piperidine
CID 100627852
N'-hydroxy-4-[3-(methoxymethyl)piperidin-1-yl]butanimidamide
CID 106587066
4-[3-(methoxymethyl)piperidin-1-yl]butanehydrazide
CID 106589698
(3S)-3-(methoxymethyl)-1-methylpiperidine
CID 58134332
1-[2-[3-(methoxymethyl)piperidin-1-yl]ethyl]-1,4-diazepane
CID 106587374
3-(2-bromoethyl)-1-pentylpiperidine
CID 80690908
[(3R)-1-(3-methoxypropyl)piperidin-3-yl]methanol
CID 129367340
2-ethyl-5-[3-(methoxymethyl)piperidin-1-yl]-2-(methylamino)pentan-1-ol
CID 106809961

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromopropyl)-3-(methoxymethyl)piperidine?
The IUPAC name of 1-(3-bromopropyl)-3-(methoxymethyl)piperidine (CID 106588360) is 1-(3-bromopropyl)-3-(methoxymethyl)piperidine.
What is the SMILES notation for 1-(3-bromopropyl)-3-(methoxymethyl)piperidine?
The canonical SMILES for 1-(3-bromopropyl)-3-(methoxymethyl)piperidine is COCC1CCCN(CCCBr)C1.
What is the InChIKey of 1-(3-bromopropyl)-3-(methoxymethyl)piperidine?
The InChIKey is QGAUQTROHDNZKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20BrNO/c1-13-9-10-4-2-6-12(8-10)7-3-5-11/h10H,2-9H2,1H3.
What are the key properties of 1-(3-bromopropyl)-3-(methoxymethyl)piperidine?
1-(3-bromopropyl)-3-(methoxymethyl)piperidine has a molecular weight of 250.18 g/mol, XLogP of 2.13, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromopropyl)-3-(methoxymethyl)piperidine is sourced from PubChem (CID 106588360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).