1-(3-chloropropyl)-2,4-dimethylpiperidine

C10H20ClN — CID 62332524

IUPAC1-(3-chloropropyl)-2,4-dimethylpiperidine
SMILESCC1CCN(CCCCl)C(C)C1
InChIInChI=1S/C10H20ClN/c1-9-4-7-12(6-3-5-11)10(2)8-9/h9-10H,3-8H2,1-2H3
InChIKeyXFTDNKIPFGWEHP-UHFFFAOYSA-N
MW189.73 g/mol
LogP2.74
Rot. Bonds3

About 1-(3-chloropropyl)-2,4-dimethylpiperidine

1-(3-chloropropyl)-2,4-dimethylpiperidine (PubChem CID 62332524) has the molecular formula C10H20ClN and a molecular weight of 189.73 g/mol. Its IUPAC name is 1-(3-chloropropyl)-2,4-dimethylpiperidine.

Molecular Properties

Compound Name1-(3-chloropropyl)-2,4-dimethylpiperidine
PubChem CID62332524
Molecular FormulaC10H20ClN
Molecular Weight189.73 g/mol
Exact Mass189.13
IUPAC Name1-(3-chloropropyl)-2,4-dimethylpiperidine
SMILESCC1CCN(CCCCl)C(C)C1
InChIInChI=1S/C10H20ClN/c1-9-4-7-12(6-3-5-11)10(2)8-9/h9-10H,3-8H2,1-2H3
InChIKeyXFTDNKIPFGWEHP-UHFFFAOYSA-N
XLogP2.74
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.73
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-(3-chloropropyl)-2,4-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 1-(3-chloropropyl)-2,4-dimethylpiperidine?
The IUPAC name of 1-(3-chloropropyl)-2,4-dimethylpiperidine (CID 62332524) is 1-(3-chloropropyl)-2,4-dimethylpiperidine.
What is the SMILES notation for 1-(3-chloropropyl)-2,4-dimethylpiperidine?
The canonical SMILES for 1-(3-chloropropyl)-2,4-dimethylpiperidine is CC1CCN(CCCCl)C(C)C1.
What is the InChIKey of 1-(3-chloropropyl)-2,4-dimethylpiperidine?
The InChIKey is XFTDNKIPFGWEHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20ClN/c1-9-4-7-12(6-3-5-11)10(2)8-9/h9-10H,3-8H2,1-2H3.
What are the key properties of 1-(3-chloropropyl)-2,4-dimethylpiperidine?
1-(3-chloropropyl)-2,4-dimethylpiperidine has a molecular weight of 189.73 g/mol, XLogP of 2.74, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloropropyl)-2,4-dimethylpiperidine is sourced from PubChem (CID 62332524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).