[2-(bromomethyl)piperidin-1-yl]-cyclooctylmethanone

C15H26BrNO — CID 80660817

IUPAC[2-(bromomethyl)piperidin-1-yl]-cyclooctylmethanone
SMILESO=C(C1CCCCCCC1)N1CCCCC1CBr
InChIInChI=1S/C15H26BrNO/c16-12-14-10-6-7-11-17(14)15(18)13-8-4-2-1-3-5-9-13/h13-14H,1-12H2
InChIKeyIKVPUXFMQKWJBR-UHFFFAOYSA-N
MW316.28 g/mol
LogP4.12
Rot. Bonds2

About [2-(bromomethyl)piperidin-1-yl]-cyclooctylmethanone

[2-(bromomethyl)piperidin-1-yl]-cyclooctylmethanone (PubChem CID 80660817) has the molecular formula C15H26BrNO and a molecular weight of 316.28 g/mol. Its IUPAC name is [2-(bromomethyl)piperidin-1-yl]-cyclooctylmethanone.

Molecular Properties

Compound Name[2-(bromomethyl)piperidin-1-yl]-cyclooctylmethanone
PubChem CID80660817
Molecular FormulaC15H26BrNO
Molecular Weight316.28 g/mol
Exact Mass315.12
IUPAC Name[2-(bromomethyl)piperidin-1-yl]-cyclooctylmethanone
SMILESO=C(C1CCCCCCC1)N1CCCCC1CBr
InChIInChI=1S/C15H26BrNO/c16-12-14-10-6-7-11-17(14)15(18)13-8-4-2-1-3-5-9-13/h13-14H,1-12H2
InChIKeyIKVPUXFMQKWJBR-UHFFFAOYSA-N
XLogP4.12
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.28
LogP ≤ 54.12
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

[2-(chloromethyl)piperidin-1-yl]-cyclohexylmethanone
CID 63395604
cyclopentyl-[2-(hydroxymethyl)azepan-1-yl]methanone
CID 116636172
cyclohexyl-[(2R)-2-ethylpiperidin-1-yl]methanone
CID 798108
[2-(bromomethyl)azepan-1-yl]-(4-butylcyclohexyl)methanone
CID 116639412
[2-(aminomethyl)pyrrolidin-1-yl]-cyclohexylmethanone;hydrochloride
CID 119261191
[2-(3-bromopropyl)pyrrolidin-1-yl]-cyclopentylmethanone
CID 80676795
cyclopentyl-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 79030199
[2-(bromomethyl)pyrrolidin-1-yl]-(4-tert-butylcyclohexyl)methanone
CID 80677873
[2-(2-aminoethyl)piperidin-1-yl]-cyclohexylmethanone
CID 63755194
1-[1-(cycloheptanecarbonyl)azepan-2-yl]propan-2-one
CID 79553595
cyclohexyl-[(2S)-2-(nitrosomethyl)pyrrolidin-1-yl]methanone
CID 89308025
[2-(bromomethyl)piperidin-1-yl]-(thian-2-yl)methanone
CID 80658961

Frequently Asked Questions

What is the IUPAC name of [2-(bromomethyl)piperidin-1-yl]-cyclooctylmethanone?
The IUPAC name of [2-(bromomethyl)piperidin-1-yl]-cyclooctylmethanone (CID 80660817) is [2-(bromomethyl)piperidin-1-yl]-cyclooctylmethanone.
What is the SMILES notation for [2-(bromomethyl)piperidin-1-yl]-cyclooctylmethanone?
The canonical SMILES for [2-(bromomethyl)piperidin-1-yl]-cyclooctylmethanone is O=C(C1CCCCCCC1)N1CCCCC1CBr.
What is the InChIKey of [2-(bromomethyl)piperidin-1-yl]-cyclooctylmethanone?
The InChIKey is IKVPUXFMQKWJBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26BrNO/c16-12-14-10-6-7-11-17(14)15(18)13-8-4-2-1-3-5-9-13/h13-14H,1-12H2.
What are the key properties of [2-(bromomethyl)piperidin-1-yl]-cyclooctylmethanone?
[2-(bromomethyl)piperidin-1-yl]-cyclooctylmethanone has a molecular weight of 316.28 g/mol, XLogP of 4.12, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(bromomethyl)piperidin-1-yl]-cyclooctylmethanone is sourced from PubChem (CID 80660817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).