[2-(chloromethyl)piperidin-1-yl]-cyclohexylmethanone

C13H22ClNO — CID 63395604

IUPAC[2-(chloromethyl)piperidin-1-yl]-cyclohexylmethanone
SMILESO=C(C1CCCCC1)N1CCCCC1CCl
InChIInChI=1S/C13H22ClNO/c14-10-12-8-4-5-9-15(12)13(16)11-6-2-1-3-7-11/h11-12H,1-10H2
InChIKeyCJWLVWURNIQTEA-UHFFFAOYSA-N
MW243.78 g/mol
LogP3.19
Rot. Bonds2

About [2-(chloromethyl)piperidin-1-yl]-cyclohexylmethanone

[2-(chloromethyl)piperidin-1-yl]-cyclohexylmethanone (PubChem CID 63395604) has the molecular formula C13H22ClNO and a molecular weight of 243.78 g/mol. Its IUPAC name is [2-(chloromethyl)piperidin-1-yl]-cyclohexylmethanone.

Molecular Properties

Compound Name[2-(chloromethyl)piperidin-1-yl]-cyclohexylmethanone
PubChem CID63395604
Molecular FormulaC13H22ClNO
Molecular Weight243.78 g/mol
Exact Mass243.14
IUPAC Name[2-(chloromethyl)piperidin-1-yl]-cyclohexylmethanone
SMILESO=C(C1CCCCC1)N1CCCCC1CCl
InChIInChI=1S/C13H22ClNO/c14-10-12-8-4-5-9-15(12)13(16)11-6-2-1-3-7-11/h11-12H,1-10H2
InChIKeyCJWLVWURNIQTEA-UHFFFAOYSA-N
XLogP3.19
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.78
LogP ≤ 53.19
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

cyclopentyl-[2-(hydroxymethyl)azepan-1-yl]methanone
CID 116636172
cyclohexyl-[(2R)-2-ethylpiperidin-1-yl]methanone
CID 798108
[2-(bromomethyl)piperidin-1-yl]-cyclooctylmethanone
CID 80660817
[2-(chloromethyl)azepan-1-yl]-(thiolan-3-yl)methanone
CID 116639039
[2-(aminomethyl)pyrrolidin-1-yl]-cyclohexylmethanone;hydrochloride
CID 119261191
cyclopentyl-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 79030199
[2-(2-aminoethyl)piperidin-1-yl]-cyclohexylmethanone
CID 63755194
1-[1-(cycloheptanecarbonyl)azepan-2-yl]propan-2-one
CID 79553595
3-bicyclo[3.1.0]hexanyl-[(2S)-2-(chloromethyl)pyrrolidin-1-yl]methanone
CID 164655881
cyclohexyl-[(2S)-2-(nitrosomethyl)pyrrolidin-1-yl]methanone
CID 89308025
cyclohexyl-[2-(methoxymethyl)pyrrolidin-1-yl]methanone
CID 110869949
cyclooctyl-[2-[2-(methylamino)ethyl]piperidin-1-yl]methanone
CID 65023261

Frequently Asked Questions

What is the IUPAC name of [2-(chloromethyl)piperidin-1-yl]-cyclohexylmethanone?
The IUPAC name of [2-(chloromethyl)piperidin-1-yl]-cyclohexylmethanone (CID 63395604) is [2-(chloromethyl)piperidin-1-yl]-cyclohexylmethanone.
What is the SMILES notation for [2-(chloromethyl)piperidin-1-yl]-cyclohexylmethanone?
The canonical SMILES for [2-(chloromethyl)piperidin-1-yl]-cyclohexylmethanone is O=C(C1CCCCC1)N1CCCCC1CCl.
What is the InChIKey of [2-(chloromethyl)piperidin-1-yl]-cyclohexylmethanone?
The InChIKey is CJWLVWURNIQTEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22ClNO/c14-10-12-8-4-5-9-15(12)13(16)11-6-2-1-3-7-11/h11-12H,1-10H2.
What are the key properties of [2-(chloromethyl)piperidin-1-yl]-cyclohexylmethanone?
[2-(chloromethyl)piperidin-1-yl]-cyclohexylmethanone has a molecular weight of 243.78 g/mol, XLogP of 3.19, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(chloromethyl)piperidin-1-yl]-cyclohexylmethanone is sourced from PubChem (CID 63395604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).