1-(4-bromopiperidin-1-yl)decan-1-one

C15H28BrNO — CID 80661862

IUPAC1-(4-bromopiperidin-1-yl)decan-1-one
SMILESCCCCCCCCCC(=O)N1CCC(Br)CC1
InChIInChI=1S/C15H28BrNO/c1-2-3-4-5-6-7-8-9-15(18)17-12-10-14(16)11-13-17/h14H,2-13H2,1H3
InChIKeyQNWPYFHIMIIDIE-UHFFFAOYSA-N
MW318.30 g/mol
LogP4.51
Rot. Bonds8

About 1-(4-bromopiperidin-1-yl)decan-1-one

1-(4-bromopiperidin-1-yl)decan-1-one (PubChem CID 80661862) has the molecular formula C15H28BrNO and a molecular weight of 318.30 g/mol. Its IUPAC name is 1-(4-bromopiperidin-1-yl)decan-1-one.

Molecular Properties

Compound Name1-(4-bromopiperidin-1-yl)decan-1-one
PubChem CID80661862
Molecular FormulaC15H28BrNO
Molecular Weight318.30 g/mol
Exact Mass317.14
IUPAC Name1-(4-bromopiperidin-1-yl)decan-1-one
SMILESCCCCCCCCCC(=O)N1CCC(Br)CC1
InChIInChI=1S/C15H28BrNO/c1-2-3-4-5-6-7-8-9-15(18)17-12-10-14(16)11-13-17/h14H,2-13H2,1H3
InChIKeyQNWPYFHIMIIDIE-UHFFFAOYSA-N
XLogP4.51
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.30
LogP ≤ 54.51
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-(4-methylpiperidin-1-yl)tetradecan-1-one
CID 10425459
1-[4-(bromomethyl)piperidin-1-yl]nonan-1-one
CID 80677529
1-(4-octadecanoylpiperazin-1-yl)octadecan-1-one
CID 550164
1-(4-ethylpiperidin-1-yl)octan-1-one
CID 166490088
1-(4-aminopiperidin-1-yl)nonan-1-one
CID 65449656
1-pyrrolidin-1-ylheptadecan-1-one
CID 574649
1-[4-(methylamino)piperidin-1-yl]hexan-1-one
CID 60818219
1-decanoylpiperidine-4-carbonitrile
CID 49062541
1-(4-propanoylpiperazin-1-yl)tetradecan-1-one
CID 10338117
1-(4-decanoyl-1,4-diazepan-1-yl)decan-1-one
CID 4155089
methyl 1-heptanoylpiperidine-4-carboxylate
CID 43423316
1-hexanoylpiperidine-4-carbonitrile
CID 49062755

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromopiperidin-1-yl)decan-1-one?
The IUPAC name of 1-(4-bromopiperidin-1-yl)decan-1-one (CID 80661862) is 1-(4-bromopiperidin-1-yl)decan-1-one.
What is the SMILES notation for 1-(4-bromopiperidin-1-yl)decan-1-one?
The canonical SMILES for 1-(4-bromopiperidin-1-yl)decan-1-one is CCCCCCCCCC(=O)N1CCC(Br)CC1.
What is the InChIKey of 1-(4-bromopiperidin-1-yl)decan-1-one?
The InChIKey is QNWPYFHIMIIDIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28BrNO/c1-2-3-4-5-6-7-8-9-15(18)17-12-10-14(16)11-13-17/h14H,2-13H2,1H3.
What are the key properties of 1-(4-bromopiperidin-1-yl)decan-1-one?
1-(4-bromopiperidin-1-yl)decan-1-one has a molecular weight of 318.30 g/mol, XLogP of 4.51, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromopiperidin-1-yl)decan-1-one is sourced from PubChem (CID 80661862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).