2-(chloromethyl)-1,3-dimethylpiperidine

C8H16ClN — CID 141327126

IUPAC2-(chloromethyl)-1,3-dimethylpiperidine
SMILESCC1CCCN(C)C1CCl
InChIInChI=1S/C8H16ClN/c1-7-4-3-5-10(2)8(7)6-9/h7-8H,3-6H2,1-2H3
InChIKeyCJWNPDMCCVYNDD-UHFFFAOYSA-N
MW161.68 g/mol
LogP1.96
Rot. Bonds1

About 2-(chloromethyl)-1,3-dimethylpiperidine

2-(chloromethyl)-1,3-dimethylpiperidine (PubChem CID 141327126) has the molecular formula C8H16ClN and a molecular weight of 161.68 g/mol. Its IUPAC name is 2-(chloromethyl)-1,3-dimethylpiperidine.

Molecular Properties

Compound Name2-(chloromethyl)-1,3-dimethylpiperidine
PubChem CID141327126
Molecular FormulaC8H16ClN
Molecular Weight161.68 g/mol
Exact Mass161.10
IUPAC Name2-(chloromethyl)-1,3-dimethylpiperidine
SMILESCC1CCCN(C)C1CCl
InChIInChI=1S/C8H16ClN/c1-7-4-3-5-10(2)8(7)6-9/h7-8H,3-6H2,1-2H3
InChIKeyCJWNPDMCCVYNDD-UHFFFAOYSA-N
XLogP1.96
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.68
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 2-(chloromethyl)-1,3-dimethylpiperidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-1,3-dimethylpiperidine?
The IUPAC name of 2-(chloromethyl)-1,3-dimethylpiperidine (CID 141327126) is 2-(chloromethyl)-1,3-dimethylpiperidine.
What is the SMILES notation for 2-(chloromethyl)-1,3-dimethylpiperidine?
The canonical SMILES for 2-(chloromethyl)-1,3-dimethylpiperidine is CC1CCCN(C)C1CCl.
What is the InChIKey of 2-(chloromethyl)-1,3-dimethylpiperidine?
The InChIKey is CJWNPDMCCVYNDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16ClN/c1-7-4-3-5-10(2)8(7)6-9/h7-8H,3-6H2,1-2H3.
What are the key properties of 2-(chloromethyl)-1,3-dimethylpiperidine?
2-(chloromethyl)-1,3-dimethylpiperidine has a molecular weight of 161.68 g/mol, XLogP of 1.96, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-1,3-dimethylpiperidine is sourced from PubChem (CID 141327126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).