1-[2-(bromomethyl)pentyl]-2-methylpiperidine

C12H24BrN — CID 65011001

IUPAC1-[2-(bromomethyl)pentyl]-2-methylpiperidine
SMILESCCCC(CBr)CN1CCCCC1C
InChIInChI=1S/C12H24BrN/c1-3-6-12(9-13)10-14-8-5-4-7-11(14)2/h11-12H,3-10H2,1-2H3
InChIKeyDDMOQPITAGAQAZ-UHFFFAOYSA-N
MW262.23 g/mol
LogP3.67
Rot. Bonds5

About 1-[2-(bromomethyl)pentyl]-2-methylpiperidine

1-[2-(bromomethyl)pentyl]-2-methylpiperidine (PubChem CID 65011001) has the molecular formula C12H24BrN and a molecular weight of 262.23 g/mol. Its IUPAC name is 1-[2-(bromomethyl)pentyl]-2-methylpiperidine.

Molecular Properties

Compound Name1-[2-(bromomethyl)pentyl]-2-methylpiperidine
PubChem CID65011001
Molecular FormulaC12H24BrN
Molecular Weight262.23 g/mol
Exact Mass261.11
IUPAC Name1-[2-(bromomethyl)pentyl]-2-methylpiperidine
SMILESCCCC(CBr)CN1CCCCC1C
InChIInChI=1S/C12H24BrN/c1-3-6-12(9-13)10-14-8-5-4-7-11(14)2/h11-12H,3-10H2,1-2H3
InChIKeyDDMOQPITAGAQAZ-UHFFFAOYSA-N
XLogP3.67
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.23
LogP ≤ 53.67
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

ethane;1-ethyl-2-methylazepane
CID 145020951
N-ethyl-1-(2-methylpyrrolidin-1-yl)pentan-2-amine
CID 62042499
1-[2-(bromomethyl)pentyl]-3-methylpiperidin-2-one
CID 104679909
1-[2-(bromomethyl)pentyl]-3-ethoxypiperidine
CID 65010952
4-(2-methylpiperidin-1-yl)-3-(propylamino)butan-1-ol
CID 64898364
(2R)-2-methyl-3-[(2R)-2-methylpiperidin-1-yl]propan-1-ol
CID 51777105
(2R)-2-methyl-1-(2-methylheptyl)pyrrolidine
CID 126694482
1-heptan-4-yl-2-methylpiperidine
CID 143279420
2-fluoro-3-(2-methylpiperidin-1-yl)propan-1-ol
CID 135391104
3-(2-methylazepan-1-yl)propane-1,2-diol
CID 82850957
ethanol;(2S)-1-ethyl-2-methylpiperidine
CID 170618464
2-methyl-1-pentylazepane
CID 134994557

Frequently Asked Questions

What is the IUPAC name of 1-[2-(bromomethyl)pentyl]-2-methylpiperidine?
The IUPAC name of 1-[2-(bromomethyl)pentyl]-2-methylpiperidine (CID 65011001) is 1-[2-(bromomethyl)pentyl]-2-methylpiperidine.
What is the SMILES notation for 1-[2-(bromomethyl)pentyl]-2-methylpiperidine?
The canonical SMILES for 1-[2-(bromomethyl)pentyl]-2-methylpiperidine is CCCC(CBr)CN1CCCCC1C.
What is the InChIKey of 1-[2-(bromomethyl)pentyl]-2-methylpiperidine?
The InChIKey is DDMOQPITAGAQAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24BrN/c1-3-6-12(9-13)10-14-8-5-4-7-11(14)2/h11-12H,3-10H2,1-2H3.
What are the key properties of 1-[2-(bromomethyl)pentyl]-2-methylpiperidine?
1-[2-(bromomethyl)pentyl]-2-methylpiperidine has a molecular weight of 262.23 g/mol, XLogP of 3.67, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(bromomethyl)pentyl]-2-methylpiperidine is sourced from PubChem (CID 65011001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).