1-[3-(2-bromoethyl)piperidin-1-yl]decan-1-one

C17H32BrNO — CID 80669729

IUPAC1-[3-(2-bromoethyl)piperidin-1-yl]decan-1-one
SMILESCCCCCCCCCC(=O)N1CCCC(CCBr)C1
InChIInChI=1S/C17H32BrNO/c1-2-3-4-5-6-7-8-11-17(20)19-14-9-10-16(15-19)12-13-18/h16H,2-15H2,1H3
InChIKeySRPDAKCLWJGXPF-UHFFFAOYSA-N
MW346.35 g/mol
LogP5.15
Rot. Bonds10

About 1-[3-(2-bromoethyl)piperidin-1-yl]decan-1-one

1-[3-(2-bromoethyl)piperidin-1-yl]decan-1-one (PubChem CID 80669729) has the molecular formula C17H32BrNO and a molecular weight of 346.35 g/mol. Its IUPAC name is 1-[3-(2-bromoethyl)piperidin-1-yl]decan-1-one.

Molecular Properties

Compound Name1-[3-(2-bromoethyl)piperidin-1-yl]decan-1-one
PubChem CID80669729
Molecular FormulaC17H32BrNO
Molecular Weight346.35 g/mol
Exact Mass345.17
IUPAC Name1-[3-(2-bromoethyl)piperidin-1-yl]decan-1-one
SMILESCCCCCCCCCC(=O)N1CCCC(CCBr)C1
InChIInChI=1S/C17H32BrNO/c1-2-3-4-5-6-7-8-11-17(20)19-14-9-10-16(15-19)12-13-18/h16H,2-15H2,1H3
InChIKeySRPDAKCLWJGXPF-UHFFFAOYSA-N
XLogP5.15
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.35
LogP ≤ 55.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-[3-(2-bromoethyl)pyrrolidin-1-yl]heptan-1-one
CID 114801413
1-[3-(2-hydroxyethyl)piperidin-1-yl]heptan-1-one
CID 62356771
1-[(3S)-3-hydroxypiperidin-1-yl]decan-1-one
CID 94842553
1-[3-(methylaminomethyl)piperidin-1-yl]hexan-1-one;hydrochloride
CID 119396461
1-[3-(2-chloroethyl)pyrrolidin-1-yl]dodecan-1-one
CID 114801182
1-(3-aminopyrrolidin-1-yl)dodecan-1-one
CID 65428474
1-[2-[1-[2-[2-[di(nonyl)amino]ethyl-nonylamino]acetyl]piperidin-3-yl]ethyl-nonylamino]decan-4-one
CID 166893913
1-[3-(2-bromoethyl)piperidin-1-yl]-2-ethoxyethanone
CID 80669330
1-heptanoyl-3-[(sulfamoylamino)methyl]piperidine
CID 115642411
3-bromo-1-[3-(2-hydroxyethyl)piperidin-1-yl]propan-1-one
CID 107216510
2-[2-[decyl(nonyl)amino]ethyl-nonylamino]-1-[3-[2-[di(nonyl)amino]ethyl]piperidin-1-yl]ethanone
CID 162463057
(3R)-1-hexanoylpiperidine-3-carboxylic acid
CID 28880755

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-bromoethyl)piperidin-1-yl]decan-1-one?
The IUPAC name of 1-[3-(2-bromoethyl)piperidin-1-yl]decan-1-one (CID 80669729) is 1-[3-(2-bromoethyl)piperidin-1-yl]decan-1-one.
What is the SMILES notation for 1-[3-(2-bromoethyl)piperidin-1-yl]decan-1-one?
The canonical SMILES for 1-[3-(2-bromoethyl)piperidin-1-yl]decan-1-one is CCCCCCCCCC(=O)N1CCCC(CCBr)C1.
What is the InChIKey of 1-[3-(2-bromoethyl)piperidin-1-yl]decan-1-one?
The InChIKey is SRPDAKCLWJGXPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32BrNO/c1-2-3-4-5-6-7-8-11-17(20)19-14-9-10-16(15-19)12-13-18/h16H,2-15H2,1H3.
What are the key properties of 1-[3-(2-bromoethyl)piperidin-1-yl]decan-1-one?
1-[3-(2-bromoethyl)piperidin-1-yl]decan-1-one has a molecular weight of 346.35 g/mol, XLogP of 5.15, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-bromoethyl)piperidin-1-yl]decan-1-one is sourced from PubChem (CID 80669729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).