1-(6-chlorohexyl)-4,4-dimethylpiperidine

C13H26ClN — CID 62930060

IUPAC1-(6-chlorohexyl)-4,4-dimethylpiperidine
SMILESCC1(C)CCN(CCCCCCCl)CC1
InChIInChI=1S/C13H26ClN/c1-13(2)7-11-15(12-8-13)10-6-4-3-5-9-14/h3-12H2,1-2H3
InChIKeyIKQPMRVUGGVZMS-UHFFFAOYSA-N
MW231.81 g/mol
LogP3.91
Rot. Bonds6

About 1-(6-chlorohexyl)-4,4-dimethylpiperidine

1-(6-chlorohexyl)-4,4-dimethylpiperidine (PubChem CID 62930060) has the molecular formula C13H26ClN and a molecular weight of 231.81 g/mol. Its IUPAC name is 1-(6-chlorohexyl)-4,4-dimethylpiperidine.

Molecular Properties

Compound Name1-(6-chlorohexyl)-4,4-dimethylpiperidine
PubChem CID62930060
Molecular FormulaC13H26ClN
Molecular Weight231.81 g/mol
Exact Mass231.18
IUPAC Name1-(6-chlorohexyl)-4,4-dimethylpiperidine
SMILESCC1(C)CCN(CCCCCCCl)CC1
InChIInChI=1S/C13H26ClN/c1-13(2)7-11-15(12-8-13)10-6-4-3-5-9-14/h3-12H2,1-2H3
InChIKeyIKQPMRVUGGVZMS-UHFFFAOYSA-N
XLogP3.91
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.81
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(6-chlorohexyl)-4,4-dimethylpiperidine?
The IUPAC name of 1-(6-chlorohexyl)-4,4-dimethylpiperidine (CID 62930060) is 1-(6-chlorohexyl)-4,4-dimethylpiperidine.
What is the SMILES notation for 1-(6-chlorohexyl)-4,4-dimethylpiperidine?
The canonical SMILES for 1-(6-chlorohexyl)-4,4-dimethylpiperidine is CC1(C)CCN(CCCCCCCl)CC1.
What is the InChIKey of 1-(6-chlorohexyl)-4,4-dimethylpiperidine?
The InChIKey is IKQPMRVUGGVZMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26ClN/c1-13(2)7-11-15(12-8-13)10-6-4-3-5-9-14/h3-12H2,1-2H3.
What are the key properties of 1-(6-chlorohexyl)-4,4-dimethylpiperidine?
1-(6-chlorohexyl)-4,4-dimethylpiperidine has a molecular weight of 231.81 g/mol, XLogP of 3.91, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-chlorohexyl)-4,4-dimethylpiperidine is sourced from PubChem (CID 62930060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).