1-[4-(bromomethyl)piperidin-1-yl]nonan-1-one

C15H28BrNO — CID 80677529

IUPAC1-[4-(bromomethyl)piperidin-1-yl]nonan-1-one
SMILESCCCCCCCCC(=O)N1CCC(CBr)CC1
InChIInChI=1S/C15H28BrNO/c1-2-3-4-5-6-7-8-15(18)17-11-9-14(13-16)10-12-17/h14H,2-13H2,1H3
InChIKeyABIIXDRSPFCJEP-UHFFFAOYSA-N
MW318.30 g/mol
LogP4.37
Rot. Bonds8

About 1-[4-(bromomethyl)piperidin-1-yl]nonan-1-one

1-[4-(bromomethyl)piperidin-1-yl]nonan-1-one (PubChem CID 80677529) has the molecular formula C15H28BrNO and a molecular weight of 318.30 g/mol. Its IUPAC name is 1-[4-(bromomethyl)piperidin-1-yl]nonan-1-one.

Molecular Properties

Compound Name1-[4-(bromomethyl)piperidin-1-yl]nonan-1-one
PubChem CID80677529
Molecular FormulaC15H28BrNO
Molecular Weight318.30 g/mol
Exact Mass317.14
IUPAC Name1-[4-(bromomethyl)piperidin-1-yl]nonan-1-one
SMILESCCCCCCCCC(=O)N1CCC(CBr)CC1
InChIInChI=1S/C15H28BrNO/c1-2-3-4-5-6-7-8-15(18)17-11-9-14(13-16)10-12-17/h14H,2-13H2,1H3
InChIKeyABIIXDRSPFCJEP-UHFFFAOYSA-N
XLogP4.37
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 ≤ 54.37
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-ethylpiperidin-1-yl)octan-1-one
CID 166490088
1-[3-(bromomethyl)pyrrolidin-1-yl]pentan-1-one
CID 80668318
1-(4-aminopiperidin-1-yl)nonan-1-one
CID 65449656
1-(4-bromopiperidin-1-yl)decan-1-one
CID 80661862
1-[3-(2-bromoethyl)pyrrolidin-1-yl]heptan-1-one
CID 114801413
1-(4-methylpiperidin-1-yl)tetradecan-1-one
CID 10425459
1-(4-octadecanoylpiperazin-1-yl)octadecan-1-one
CID 550164
methyl 2-(1-hexanoylpiperidin-4-yl)acetate
CID 94830715
1-(3-aminopyrrolidin-1-yl)dodecan-1-one
CID 65428474
1-[3-(hydroxymethyl)pyrrolidin-1-yl]hexan-1-one
CID 62371123
6-amino-1-(4-butylpiperidin-1-yl)hexan-1-one
CID 170126914
1-pyrrolidin-1-ylheptadecan-1-one
CID 574649

Frequently Asked Questions

What is the IUPAC name of 1-[4-(bromomethyl)piperidin-1-yl]nonan-1-one?
The IUPAC name of 1-[4-(bromomethyl)piperidin-1-yl]nonan-1-one (CID 80677529) is 1-[4-(bromomethyl)piperidin-1-yl]nonan-1-one.
What is the SMILES notation for 1-[4-(bromomethyl)piperidin-1-yl]nonan-1-one?
The canonical SMILES for 1-[4-(bromomethyl)piperidin-1-yl]nonan-1-one is CCCCCCCCC(=O)N1CCC(CBr)CC1.
What is the InChIKey of 1-[4-(bromomethyl)piperidin-1-yl]nonan-1-one?
The InChIKey is ABIIXDRSPFCJEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28BrNO/c1-2-3-4-5-6-7-8-15(18)17-11-9-14(13-16)10-12-17/h14H,2-13H2,1H3.
What are the key properties of 1-[4-(bromomethyl)piperidin-1-yl]nonan-1-one?
1-[4-(bromomethyl)piperidin-1-yl]nonan-1-one has a molecular weight of 318.30 g/mol, XLogP of 4.37, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(bromomethyl)piperidin-1-yl]nonan-1-one is sourced from PubChem (CID 80677529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).