4-(6-chlorohexyl)-2-ethyl-1-methylpiperazine

C13H27ClN2 — CID 63635899

IUPAC4-(6-chlorohexyl)-2-ethyl-1-methylpiperazine
SMILESCCC1CN(CCCCCCCl)CCN1C
InChIInChI=1S/C13H27ClN2/c1-3-13-12-16(11-10-15(13)2)9-7-5-4-6-8-14/h13H,3-12H2,1-2H3
InChIKeyJRVUTUWRXCUQHP-UHFFFAOYSA-N
MW246.83 g/mol
LogP2.81
Rot. Bonds7

About 4-(6-chlorohexyl)-2-ethyl-1-methylpiperazine

4-(6-chlorohexyl)-2-ethyl-1-methylpiperazine (PubChem CID 63635899) has the molecular formula C13H27ClN2 and a molecular weight of 246.83 g/mol. Its IUPAC name is 4-(6-chlorohexyl)-2-ethyl-1-methylpiperazine.

Molecular Properties

Compound Name4-(6-chlorohexyl)-2-ethyl-1-methylpiperazine
PubChem CID63635899
Molecular FormulaC13H27ClN2
Molecular Weight246.83 g/mol
Exact Mass246.19
IUPAC Name4-(6-chlorohexyl)-2-ethyl-1-methylpiperazine
SMILESCCC1CN(CCCCCCCl)CCN1C
InChIInChI=1S/C13H27ClN2/c1-3-13-12-16(11-10-15(13)2)9-7-5-4-6-8-14/h13H,3-12H2,1-2H3
InChIKeyJRVUTUWRXCUQHP-UHFFFAOYSA-N
XLogP2.81
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.83
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(4-bromobutyl)-2-ethyl-1-methylpiperazine
CID 63636075
4-(4-chlorobutyl)-1,2-dimethylpiperazine
CID 63635546
5-(3-ethyl-4-methylpiperazin-1-yl)pentan-2-amine
CID 63608603
5-(3-ethyl-4-methylpiperazin-1-yl)-N-methylpentan-2-amine
CID 63611231
1-(5-chloropentyl)-4-pentylpiperazine
CID 67898434
2-amino-6-(3-ethyl-4-methylpiperazin-1-yl)-2-methylhexan-1-ol
CID 64790790
N-[3-(3-ethyl-4-methylpiperazin-1-yl)propyl]-2-methylpropan-1-amine
CID 63611055
6-(3-ethyl-4-methylpiperazin-1-yl)-3,3-dimethylhexan-1-amine
CID 65295738
5-(3-ethyl-4-methylpiperazin-1-yl)-2,2-dimethylpentanenitrile
CID 65257902
5-(3-ethyl-4-methylpiperazin-1-yl)-N-propylpentan-2-amine
CID 63608601
4-(3-ethyl-4-methylpiperazin-1-yl)-2-methylbutan-2-ol
CID 79360842
N-[2-(3-ethyl-4-methylpiperazin-1-yl)ethyl]cycloheptanamine
CID 55217199

Frequently Asked Questions

What is the IUPAC name of 4-(6-chlorohexyl)-2-ethyl-1-methylpiperazine?
The IUPAC name of 4-(6-chlorohexyl)-2-ethyl-1-methylpiperazine (CID 63635899) is 4-(6-chlorohexyl)-2-ethyl-1-methylpiperazine.
What is the SMILES notation for 4-(6-chlorohexyl)-2-ethyl-1-methylpiperazine?
The canonical SMILES for 4-(6-chlorohexyl)-2-ethyl-1-methylpiperazine is CCC1CN(CCCCCCCl)CCN1C.
What is the InChIKey of 4-(6-chlorohexyl)-2-ethyl-1-methylpiperazine?
The InChIKey is JRVUTUWRXCUQHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27ClN2/c1-3-13-12-16(11-10-15(13)2)9-7-5-4-6-8-14/h13H,3-12H2,1-2H3.
What are the key properties of 4-(6-chlorohexyl)-2-ethyl-1-methylpiperazine?
4-(6-chlorohexyl)-2-ethyl-1-methylpiperazine has a molecular weight of 246.83 g/mol, XLogP of 2.81, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-chlorohexyl)-2-ethyl-1-methylpiperazine is sourced from PubChem (CID 63635899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).