1-(3-chloropropyl)-2,6-dimethylpiperidine

C10H20ClN — CID 12923590

IUPAC1-(3-chloropropyl)-2,6-dimethylpiperidine
SMILESCC1CCCC(C)N1CCCCl
InChIInChI=1S/C10H20ClN/c1-9-5-3-6-10(2)12(9)8-4-7-11/h9-10H,3-8H2,1-2H3
InChIKeyVOGQZKPKCZDFBF-UHFFFAOYSA-N
MW189.73 g/mol
LogP2.88
Rot. Bonds3

About 1-(3-chloropropyl)-2,6-dimethylpiperidine

1-(3-chloropropyl)-2,6-dimethylpiperidine (PubChem CID 12923590) has the molecular formula C10H20ClN and a molecular weight of 189.73 g/mol. Its IUPAC name is 1-(3-chloropropyl)-2,6-dimethylpiperidine.

Molecular Properties

Compound Name1-(3-chloropropyl)-2,6-dimethylpiperidine
PubChem CID12923590
Molecular FormulaC10H20ClN
Molecular Weight189.73 g/mol
Exact Mass189.13
IUPAC Name1-(3-chloropropyl)-2,6-dimethylpiperidine
SMILESCC1CCCC(C)N1CCCCl
InChIInChI=1S/C10H20ClN/c1-9-5-3-6-10(2)12(9)8-4-7-11/h9-10H,3-8H2,1-2H3
InChIKeyVOGQZKPKCZDFBF-UHFFFAOYSA-N
XLogP2.88
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 ≤ 52.88
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

2-(Chloromethyl)-1-(3-chloropropyl)piperidine--hydrogen bromide (1/1)
CID 149031
Piperidine, 1-(3-chloropropyl)-
CID 79625
2-(2-Chloroethyl)-1-methylpiperidine
CID 3016566
2-(2-Chloroethyl)-1-methylpiperidinium chloride
CID 12432704
2-(Chloromethyl)-1-methylpiperidine
CID 123517
1-(2-Chloroethyl)-2-(chloromethyl)piperidine hydrochloride
CID 21123220
4-Chloro-1-(propan-2-yl)piperidine hydrochloride
CID 137935664
cis-1-(3-Chloropropyl)-2,6-dimethyl-piperidin hydrochloride
CID 12923592
1-(gamma-Chloropropyl)-2-chloromethylpiperidine
CID 133634
(beta-Chloroethyl)-2-chloromethylpiperidine
CID 153049
1-Tert-butyl-4-chloropiperidine
CID 11423872
1-(3-Chloropropyl)-2,6-dimethylpiperidin-1-ium chloride
CID 53446675

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloropropyl)-2,6-dimethylpiperidine?
The IUPAC name of 1-(3-chloropropyl)-2,6-dimethylpiperidine (CID 12923590) is 1-(3-chloropropyl)-2,6-dimethylpiperidine.
What is the SMILES notation for 1-(3-chloropropyl)-2,6-dimethylpiperidine?
The canonical SMILES for 1-(3-chloropropyl)-2,6-dimethylpiperidine is CC1CCCC(C)N1CCCCl.
What is the InChIKey of 1-(3-chloropropyl)-2,6-dimethylpiperidine?
The InChIKey is VOGQZKPKCZDFBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20ClN/c1-9-5-3-6-10(2)12(9)8-4-7-11/h9-10H,3-8H2,1-2H3.
What are the key properties of 1-(3-chloropropyl)-2,6-dimethylpiperidine?
1-(3-chloropropyl)-2,6-dimethylpiperidine has a molecular weight of 189.73 g/mol, XLogP of 2.88, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloropropyl)-2,6-dimethylpiperidine is sourced from PubChem (CID 12923590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).