1-[(E)-3-chloroprop-2-enyl]-2,3,4-trimethylpiperazine

C10H19ClN2 — CID 131232946

IUPAC1-[(E)-3-chloroprop-2-enyl]-2,3,4-trimethylpiperazine
SMILESCC1C(C)N(C/C=C/Cl)CCN1C
InChIInChI=1S/C10H19ClN2/c1-9-10(2)13(6-4-5-11)8-7-12(9)3/h4-5,9-10H,6-8H2,1-3H3/b5-4+
InChIKeyJEBXKSYOKZZIJV-SNAWJCMRSA-N
MW202.73 g/mol
LogP1.76
Rot. Bonds2

About 1-[(E)-3-chloroprop-2-enyl]-2,3,4-trimethylpiperazine

1-[(E)-3-chloroprop-2-enyl]-2,3,4-trimethylpiperazine (PubChem CID 131232946) has the molecular formula C10H19ClN2 and a molecular weight of 202.73 g/mol. Its IUPAC name is 1-[(E)-3-chloroprop-2-enyl]-2,3,4-trimethylpiperazine.

Molecular Properties

Compound Name1-[(E)-3-chloroprop-2-enyl]-2,3,4-trimethylpiperazine
PubChem CID131232946
Molecular FormulaC10H19ClN2
Molecular Weight202.73 g/mol
Exact Mass202.12
IUPAC Name1-[(E)-3-chloroprop-2-enyl]-2,3,4-trimethylpiperazine
SMILESCC1C(C)N(C/C=C/Cl)CCN1C
InChIInChI=1S/C10H19ClN2/c1-9-10(2)13(6-4-5-11)8-7-12(9)3/h4-5,9-10H,6-8H2,1-3H3/b5-4+
InChIKeyJEBXKSYOKZZIJV-SNAWJCMRSA-N
XLogP1.76
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.73
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(E)-3-chloroprop-2-enyl]-2,3,4-trimethylpiperazine?
The IUPAC name of 1-[(E)-3-chloroprop-2-enyl]-2,3,4-trimethylpiperazine (CID 131232946) is 1-[(E)-3-chloroprop-2-enyl]-2,3,4-trimethylpiperazine.
What is the SMILES notation for 1-[(E)-3-chloroprop-2-enyl]-2,3,4-trimethylpiperazine?
The canonical SMILES for 1-[(E)-3-chloroprop-2-enyl]-2,3,4-trimethylpiperazine is CC1C(C)N(C/C=C/Cl)CCN1C.
What is the InChIKey of 1-[(E)-3-chloroprop-2-enyl]-2,3,4-trimethylpiperazine?
The InChIKey is JEBXKSYOKZZIJV-SNAWJCMRSA-N. The full InChI is InChI=1S/C10H19ClN2/c1-9-10(2)13(6-4-5-11)8-7-12(9)3/h4-5,9-10H,6-8H2,1-3H3/b5-4+.
What are the key properties of 1-[(E)-3-chloroprop-2-enyl]-2,3,4-trimethylpiperazine?
1-[(E)-3-chloroprop-2-enyl]-2,3,4-trimethylpiperazine has a molecular weight of 202.73 g/mol, XLogP of 1.76, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-3-chloroprop-2-enyl]-2,3,4-trimethylpiperazine is sourced from PubChem (CID 131232946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).