1-[2-(bromomethyl)pentyl]-3-methylpiperidin-2-one

C12H22BrNO — CID 104679909

IUPAC1-[2-(bromomethyl)pentyl]-3-methylpiperidin-2-one
SMILESCCCC(CBr)CN1CCCC(C)C1=O
InChIInChI=1S/C12H22BrNO/c1-3-5-11(8-13)9-14-7-4-6-10(2)12(14)15/h10-11H,3-9H2,1-2H3
InChIKeyPXOGHUBRYDVTIT-UHFFFAOYSA-N
MW276.22 g/mol
LogP3.06
Rot. Bonds5

About 1-[2-(bromomethyl)pentyl]-3-methylpiperidin-2-one

1-[2-(bromomethyl)pentyl]-3-methylpiperidin-2-one (PubChem CID 104679909) has the molecular formula C12H22BrNO and a molecular weight of 276.22 g/mol. Its IUPAC name is 1-[2-(bromomethyl)pentyl]-3-methylpiperidin-2-one.

Molecular Properties

Compound Name1-[2-(bromomethyl)pentyl]-3-methylpiperidin-2-one
PubChem CID104679909
Molecular FormulaC12H22BrNO
Molecular Weight276.22 g/mol
Exact Mass275.09
IUPAC Name1-[2-(bromomethyl)pentyl]-3-methylpiperidin-2-one
SMILESCCCC(CBr)CN1CCCC(C)C1=O
InChIInChI=1S/C12H22BrNO/c1-3-5-11(8-13)9-14-7-4-6-10(2)12(14)15/h10-11H,3-9H2,1-2H3
InChIKeyPXOGHUBRYDVTIT-UHFFFAOYSA-N
XLogP3.06
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.22
LogP ≤ 53.06
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

3-methyl-1-[2-(propylamino)pentyl]piperidin-2-one
CID 104680008
1-(2-amino-2-cyclopropylethyl)-3-methylpiperidin-2-one
CID 104679988
1-(2-amino-3-methylpentyl)-3-methylpiperidin-2-one
CID 104679974
1-[2-cyclopentyl-2-(methylamino)ethyl]-3-methylpiperidin-2-one
CID 104748207
2-amino-3-(3-methyl-2-oxopiperidin-1-yl)propanoic acid
CID 104679872
1-[2-(bromomethyl)pentyl]-4-propan-2-ylpyrrolidin-2-one
CID 104511279
1-[2-cyclohexyl-2-(methylamino)ethyl]-3-methylpiperidin-2-one
CID 104748210
(3R)-1-(cyclopropylmethyl)-3-methylpiperidin-2-one
CID 163890114
1-[2-(ethylamino)-2-phenylethyl]-3-methylpiperidin-2-one
CID 104680044
1-[2-amino-2-(4-methylphenyl)ethyl]-3-methylpiperidin-2-one
CID 104679979
1-[2-amino-2-(2-methoxyphenyl)ethyl]-3-methylpiperidin-2-one
CID 104680024
1-[2-(bromomethyl)pentyl]-3-ethoxypiperidine
CID 65010952

Frequently Asked Questions

What is the IUPAC name of 1-[2-(bromomethyl)pentyl]-3-methylpiperidin-2-one?
The IUPAC name of 1-[2-(bromomethyl)pentyl]-3-methylpiperidin-2-one (CID 104679909) is 1-[2-(bromomethyl)pentyl]-3-methylpiperidin-2-one.
What is the SMILES notation for 1-[2-(bromomethyl)pentyl]-3-methylpiperidin-2-one?
The canonical SMILES for 1-[2-(bromomethyl)pentyl]-3-methylpiperidin-2-one is CCCC(CBr)CN1CCCC(C)C1=O.
What is the InChIKey of 1-[2-(bromomethyl)pentyl]-3-methylpiperidin-2-one?
The InChIKey is PXOGHUBRYDVTIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22BrNO/c1-3-5-11(8-13)9-14-7-4-6-10(2)12(14)15/h10-11H,3-9H2,1-2H3.
What are the key properties of 1-[2-(bromomethyl)pentyl]-3-methylpiperidin-2-one?
1-[2-(bromomethyl)pentyl]-3-methylpiperidin-2-one has a molecular weight of 276.22 g/mol, XLogP of 3.06, 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]-3-methylpiperidin-2-one is sourced from PubChem (CID 104679909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).