1,4-bis[(Z)-3-chlorobut-2-enyl]piperazine

C12H20Cl2N2 — CID 884515

IUPAC1,4-bis[(Z)-3-chlorobut-2-enyl]piperazine
SMILESC/C(Cl)=C/CN1CCN(C/C=C(/C)Cl)CC1
InChIInChI=1S/C12H20Cl2N2/c1-11(13)3-5-15-7-9-16(10-8-15)6-4-12(2)14/h3-4H,5-10H2,1-2H3/b11-3-,12-4-
InChIKeyYNERIGSTFHSQPG-LPPGRIHKSA-N
MW263.21 g/mol
LogP2.89
Rot. Bonds4

About 1,4-bis[(Z)-3-chlorobut-2-enyl]piperazine

1,4-bis[(Z)-3-chlorobut-2-enyl]piperazine (PubChem CID 884515) has the molecular formula C12H20Cl2N2 and a molecular weight of 263.21 g/mol. Its IUPAC name is 1,4-bis[(Z)-3-chlorobut-2-enyl]piperazine.

Molecular Properties

Compound Name1,4-bis[(Z)-3-chlorobut-2-enyl]piperazine
PubChem CID884515
Molecular FormulaC12H20Cl2N2
Molecular Weight263.21 g/mol
Exact Mass262.10
IUPAC Name1,4-bis[(Z)-3-chlorobut-2-enyl]piperazine
SMILESC/C(Cl)=C/CN1CCN(C/C=C(/C)Cl)CC1
InChIInChI=1S/C12H20Cl2N2/c1-11(13)3-5-15-7-9-16(10-8-15)6-4-12(2)14/h3-4H,5-10H2,1-2H3/b11-3-,12-4-
InChIKeyYNERIGSTFHSQPG-LPPGRIHKSA-N
XLogP2.89
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.21
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,4-bis[(Z)-3-chlorobut-2-enyl]piperazine?
The IUPAC name of 1,4-bis[(Z)-3-chlorobut-2-enyl]piperazine (CID 884515) is 1,4-bis[(Z)-3-chlorobut-2-enyl]piperazine.
What is the SMILES notation for 1,4-bis[(Z)-3-chlorobut-2-enyl]piperazine?
The canonical SMILES for 1,4-bis[(Z)-3-chlorobut-2-enyl]piperazine is C/C(Cl)=C/CN1CCN(C/C=C(/C)Cl)CC1.
What is the InChIKey of 1,4-bis[(Z)-3-chlorobut-2-enyl]piperazine?
The InChIKey is YNERIGSTFHSQPG-LPPGRIHKSA-N. The full InChI is InChI=1S/C12H20Cl2N2/c1-11(13)3-5-15-7-9-16(10-8-15)6-4-12(2)14/h3-4H,5-10H2,1-2H3/b11-3-,12-4-.
What are the key properties of 1,4-bis[(Z)-3-chlorobut-2-enyl]piperazine?
1,4-bis[(Z)-3-chlorobut-2-enyl]piperazine has a molecular weight of 263.21 g/mol, XLogP of 2.89, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-bis[(Z)-3-chlorobut-2-enyl]piperazine is sourced from PubChem (CID 884515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).