1-(3-chloroprop-2-enyl)-2,6-dimethylpiperazine

C9H17ClN2 — CID 77012948

IUPAC1-(3-chloroprop-2-enyl)-2,6-dimethylpiperazine
SMILESCC1CNCC(C)N1CC=CCl
InChIInChI=1S/C9H17ClN2/c1-8-6-11-7-9(2)12(8)5-3-4-10/h3-4,8-9,11H,5-7H2,1-2H3
InChIKeyPUYWGZIQUZQXOD-UHFFFAOYSA-N
MW188.70 g/mol
LogP1.42
Rot. Bonds2

About 1-(3-chloroprop-2-enyl)-2,6-dimethylpiperazine

1-(3-chloroprop-2-enyl)-2,6-dimethylpiperazine (PubChem CID 77012948) has the molecular formula C9H17ClN2 and a molecular weight of 188.70 g/mol. Its IUPAC name is 1-(3-chloroprop-2-enyl)-2,6-dimethylpiperazine.

Molecular Properties

Compound Name1-(3-chloroprop-2-enyl)-2,6-dimethylpiperazine
PubChem CID77012948
Molecular FormulaC9H17ClN2
Molecular Weight188.70 g/mol
Exact Mass188.11
IUPAC Name1-(3-chloroprop-2-enyl)-2,6-dimethylpiperazine
SMILESCC1CNCC(C)N1CC=CCl
InChIInChI=1S/C9H17ClN2/c1-8-6-11-7-9(2)12(8)5-3-4-10/h3-4,8-9,11H,5-7H2,1-2H3
InChIKeyPUYWGZIQUZQXOD-UHFFFAOYSA-N
XLogP1.42
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.70
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chloroprop-2-enyl)-2,6-dimethylpiperazine?
The IUPAC name of 1-(3-chloroprop-2-enyl)-2,6-dimethylpiperazine (CID 77012948) is 1-(3-chloroprop-2-enyl)-2,6-dimethylpiperazine.
What is the SMILES notation for 1-(3-chloroprop-2-enyl)-2,6-dimethylpiperazine?
The canonical SMILES for 1-(3-chloroprop-2-enyl)-2,6-dimethylpiperazine is CC1CNCC(C)N1CC=CCl.
What is the InChIKey of 1-(3-chloroprop-2-enyl)-2,6-dimethylpiperazine?
The InChIKey is PUYWGZIQUZQXOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17ClN2/c1-8-6-11-7-9(2)12(8)5-3-4-10/h3-4,8-9,11H,5-7H2,1-2H3.
What are the key properties of 1-(3-chloroprop-2-enyl)-2,6-dimethylpiperazine?
1-(3-chloroprop-2-enyl)-2,6-dimethylpiperazine has a molecular weight of 188.70 g/mol, XLogP of 1.42, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloroprop-2-enyl)-2,6-dimethylpiperazine is sourced from PubChem (CID 77012948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).