1-(3-chloro-2-methylprop-2-enyl)-2,5-diethylpiperazine

C12H23ClN2 — CID 106439468

IUPAC1-(3-chloro-2-methylprop-2-enyl)-2,5-diethylpiperazine
SMILESCCC1CN(CC(C)=CCl)C(CC)CN1
InChIInChI=1S/C12H23ClN2/c1-4-11-9-15(8-10(3)6-13)12(5-2)7-14-11/h6,11-12,14H,4-5,7-9H2,1-3H3
InChIKeyJQJUSQDIVQKHFL-UHFFFAOYSA-N
MW230.78 g/mol
LogP2.59
Rot. Bonds4

About 1-(3-chloro-2-methylprop-2-enyl)-2,5-diethylpiperazine

1-(3-chloro-2-methylprop-2-enyl)-2,5-diethylpiperazine (PubChem CID 106439468) has the molecular formula C12H23ClN2 and a molecular weight of 230.78 g/mol. Its IUPAC name is 1-(3-chloro-2-methylprop-2-enyl)-2,5-diethylpiperazine.

Molecular Properties

Compound Name1-(3-chloro-2-methylprop-2-enyl)-2,5-diethylpiperazine
PubChem CID106439468
Molecular FormulaC12H23ClN2
Molecular Weight230.78 g/mol
Exact Mass230.15
IUPAC Name1-(3-chloro-2-methylprop-2-enyl)-2,5-diethylpiperazine
SMILESCCC1CN(CC(C)=CCl)C(CC)CN1
InChIInChI=1S/C12H23ClN2/c1-4-11-9-15(8-10(3)6-13)12(5-2)7-14-11/h6,11-12,14H,4-5,7-9H2,1-3H3
InChIKeyJQJUSQDIVQKHFL-UHFFFAOYSA-N
XLogP2.59
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.78
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-bromoprop-2-enyl)-2,5-diethylpiperazine
CID 64978694
1-(3-chloro-2-methylprop-2-enyl)-2-methyl-5-propylpiperazine
CID 106440351
1-(3-chloro-2-methylprop-2-enyl)-5-methyl-2-(2-methylpropyl)piperazine
CID 106440350
2-(2,5-diethylpiperazin-1-yl)-N,N-dipropylacetamide
CID 64978870
2-(2,5-diethylpiperazin-1-yl)-1-(3,5-dimethylpiperidin-1-yl)ethanone
CID 64979180
2-(2,5-diethylpiperazin-1-yl)-1-morpholin-4-ylethanone
CID 64979235
4-(2,5-diethylpiperazin-1-yl)-2-methylbutan-2-ol
CID 79355714
3-(2,5-diethylpiperazin-1-yl)propanoic acid
CID 64978721
1-(cyclopentylmethyl)-2,5-diethylpiperazine
CID 64843856
2-ethyl-1-(3-methylbut-2-enyl)-5-propylpiperazine
CID 107901441
2,5-diethyl-1-[(4-ethylphenyl)methyl]piperazine
CID 64842304
2-(2,5-diethylpiperazin-1-yl)-N-(prop-2-enylcarbamoyl)acetamide
CID 64979203

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-methylprop-2-enyl)-2,5-diethylpiperazine?
The IUPAC name of 1-(3-chloro-2-methylprop-2-enyl)-2,5-diethylpiperazine (CID 106439468) is 1-(3-chloro-2-methylprop-2-enyl)-2,5-diethylpiperazine.
What is the SMILES notation for 1-(3-chloro-2-methylprop-2-enyl)-2,5-diethylpiperazine?
The canonical SMILES for 1-(3-chloro-2-methylprop-2-enyl)-2,5-diethylpiperazine is CCC1CN(CC(C)=CCl)C(CC)CN1.
What is the InChIKey of 1-(3-chloro-2-methylprop-2-enyl)-2,5-diethylpiperazine?
The InChIKey is JQJUSQDIVQKHFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23ClN2/c1-4-11-9-15(8-10(3)6-13)12(5-2)7-14-11/h6,11-12,14H,4-5,7-9H2,1-3H3.
What are the key properties of 1-(3-chloro-2-methylprop-2-enyl)-2,5-diethylpiperazine?
1-(3-chloro-2-methylprop-2-enyl)-2,5-diethylpiperazine has a molecular weight of 230.78 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-2-methylprop-2-enyl)-2,5-diethylpiperazine is sourced from PubChem (CID 106439468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).