2-(2-chloroethyl)-1,4-dimethylpiperazine

C8H17ClN2 — CID 178030673

IUPAC2-(2-chloroethyl)-1,4-dimethylpiperazine
SMILESCN1CCN(C)C(CCCl)C1
InChIInChI=1S/C8H17ClN2/c1-10-5-6-11(2)8(7-10)3-4-9/h8H,3-7H2,1-2H3
InChIKeyDGHMTVNNCRGLII-UHFFFAOYSA-N
MW176.69 g/mol
LogP0.86
Rot. Bonds2

About 2-(2-chloroethyl)-1,4-dimethylpiperazine

2-(2-chloroethyl)-1,4-dimethylpiperazine (PubChem CID 178030673) has the molecular formula C8H17ClN2 and a molecular weight of 176.69 g/mol. Its IUPAC name is 2-(2-chloroethyl)-1,4-dimethylpiperazine.

Molecular Properties

Compound Name2-(2-chloroethyl)-1,4-dimethylpiperazine
PubChem CID178030673
Molecular FormulaC8H17ClN2
Molecular Weight176.69 g/mol
Exact Mass176.11
IUPAC Name2-(2-chloroethyl)-1,4-dimethylpiperazine
SMILESCN1CCN(C)C(CCCl)C1
InChIInChI=1S/C8H17ClN2/c1-10-5-6-11(2)8(7-10)3-4-9/h8H,3-7H2,1-2H3
InChIKeyDGHMTVNNCRGLII-UHFFFAOYSA-N
XLogP0.86
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.69
LogP ≤ 50.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(1,4-dimethylpiperazin-2-yl)-N-methylmethanamine
CID 45099459
1-(1,4-dimethylpiperazin-2-yl)propan-2-amine
CID 115415048
2-benzyl-1,4,7-trimethyl-1,4,7-triazonane
CID 19975076
4-(2-chloroethyl)-1-methylpiperidine
CID 22568277
N-[2-(1,4-dimethylpiperazin-2-yl)ethyl]-N,2,5-trimethylhexan-1-amine
CID 142067796
1-[(1,4-dimethylpiperazin-2-yl)methyl]piperidin-4-amine
CID 63896354
N-[(1,4-dimethylpiperazin-2-yl)methyl]-1-(1-methylpiperidin-4-yl)methanamine
CID 63898158
N-[(1,4-dimethylpiperazin-2-yl)methyl]-5,5-dimethylhexan-2-amine
CID 114279927
2-[[5-(chloromethyl)-1H-imidazol-2-yl]methyl]-1,4-dimethylpiperazine
CID 115415877
2-(3-chloropropyl)-1-methylazetidine
CID 176925316
1-(1,4-dimethylpiperazin-2-yl)-3-ethylpentan-2-ol
CID 115414788
1-[(1,4-dimethylpiperazin-2-yl)methyl]piperidin-4-one
CID 63898397

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloroethyl)-1,4-dimethylpiperazine?
The IUPAC name of 2-(2-chloroethyl)-1,4-dimethylpiperazine (CID 178030673) is 2-(2-chloroethyl)-1,4-dimethylpiperazine.
What is the SMILES notation for 2-(2-chloroethyl)-1,4-dimethylpiperazine?
The canonical SMILES for 2-(2-chloroethyl)-1,4-dimethylpiperazine is CN1CCN(C)C(CCCl)C1.
What is the InChIKey of 2-(2-chloroethyl)-1,4-dimethylpiperazine?
The InChIKey is DGHMTVNNCRGLII-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17ClN2/c1-10-5-6-11(2)8(7-10)3-4-9/h8H,3-7H2,1-2H3.
What are the key properties of 2-(2-chloroethyl)-1,4-dimethylpiperazine?
2-(2-chloroethyl)-1,4-dimethylpiperazine has a molecular weight of 176.69 g/mol, XLogP of 0.86, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloroethyl)-1,4-dimethylpiperazine is sourced from PubChem (CID 178030673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).