2-(chloromethyl)-1-methylpiperidine;hydrochloride

C7H15Cl2N — CID 12644392

IUPAC2-(chloromethyl)-1-methylpiperidine;hydrochloride
SMILESCN1CCCCC1CCl.Cl
InChIInChI=1S/C7H14ClN.ClH/c1-9-5-3-2-4-7(9)6-8;/h7H,2-6H2,1H3;1H
InChIKeyAZZOFXGSQFRBCS-UHFFFAOYSA-N
MW184.11 g/mol
LogP2.13
Rot. Bonds1

About 2-(chloromethyl)-1-methylpiperidine;hydrochloride

2-(chloromethyl)-1-methylpiperidine;hydrochloride (PubChem CID 12644392) has the molecular formula C7H15Cl2N and a molecular weight of 184.11 g/mol. Its IUPAC name is 2-(chloromethyl)-1-methylpiperidine;hydrochloride.

Molecular Properties

Compound Name2-(chloromethyl)-1-methylpiperidine;hydrochloride
PubChem CID12644392
Molecular FormulaC7H15Cl2N
Molecular Weight184.11 g/mol
Exact Mass183.06
IUPAC Name2-(chloromethyl)-1-methylpiperidine;hydrochloride
SMILESCN1CCCCC1CCl.Cl
InChIInChI=1S/C7H14ClN.ClH/c1-9-5-3-2-4-7(9)6-8;/h7H,2-6H2,1H3;1H
InChIKeyAZZOFXGSQFRBCS-UHFFFAOYSA-N
XLogP2.13
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.11
LogP ≤ 52.13
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

1-methyl-2-[(1-methylpiperidin-2-yl)methyl]piperidine
CID 54394556
(2R)-2-ethyl-1-methylpiperidine
CID 67552955
2-(chloromethyl)-1-[(1-methylpyrrolidin-2-yl)methyl]pyrrolidine
CID 127009301
2-(chloromethyl)-1-(2-methoxyethyl)piperidine
CID 63386615
(2S)-2-(2,2-dimethylpropyl)-1-methylpiperidine
CID 58874495
(2S)-1-methyl-2-(pyrrolidin-1-ylmethyl)pyrrolidine
CID 10920923
N-[(1-methylpiperidin-2-yl)methyl]hydroxylamine
CID 82684324
1-methyl-2-(2-methylpropyl)azepane
CID 130636029
N-methyl-N-[(1-methylpiperidin-2-yl)methyl]hydroxylamine
CID 105431089
[(2S)-1-methylpiperidin-2-yl]methylhydrazine
CID 45087985
N-[[2-(chloromethyl)cyclohexyl]methyl]-2-(1-methylpiperidin-2-yl)ethanamine
CID 107913747
(2R)-2-ethyl-1-methylpyrrolidine;hydrofluoride
CID 162730747

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-1-methylpiperidine;hydrochloride?
The IUPAC name of 2-(chloromethyl)-1-methylpiperidine;hydrochloride (CID 12644392) is 2-(chloromethyl)-1-methylpiperidine;hydrochloride.
What is the SMILES notation for 2-(chloromethyl)-1-methylpiperidine;hydrochloride?
The canonical SMILES for 2-(chloromethyl)-1-methylpiperidine;hydrochloride is CN1CCCCC1CCl.Cl.
What is the InChIKey of 2-(chloromethyl)-1-methylpiperidine;hydrochloride?
The InChIKey is AZZOFXGSQFRBCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14ClN.ClH/c1-9-5-3-2-4-7(9)6-8;/h7H,2-6H2,1H3;1H.
What are the key properties of 2-(chloromethyl)-1-methylpiperidine;hydrochloride?
2-(chloromethyl)-1-methylpiperidine;hydrochloride has a molecular weight of 184.11 g/mol, XLogP of 2.13, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-1-methylpiperidine;hydrochloride is sourced from PubChem (CID 12644392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).