1-(4-chlorophenyl)-3-methylidenepiperazine

C11H13ClN2 — CID 143791533

IUPAC1-(4-chlorophenyl)-3-methylidenepiperazine
SMILESC=C1CN(c2ccc(Cl)cc2)CCN1
InChIInChI=1S/C11H13ClN2/c1-9-8-14(7-6-13-9)11-4-2-10(12)3-5-11/h2-5,13H,1,6-8H2
InChIKeyZOASWIKBTNEOBY-UHFFFAOYSA-N
MW208.69 g/mol
LogP2.26
Rot. Bonds1

About 1-(4-chlorophenyl)-3-methylidenepiperazine

1-(4-chlorophenyl)-3-methylidenepiperazine (PubChem CID 143791533) has the molecular formula C11H13ClN2 and a molecular weight of 208.69 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-methylidenepiperazine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-methylidenepiperazine
PubChem CID143791533
Molecular FormulaC11H13ClN2
Molecular Weight208.69 g/mol
Exact Mass208.08
IUPAC Name1-(4-chlorophenyl)-3-methylidenepiperazine
SMILESC=C1CN(c2ccc(Cl)cc2)CCN1
InChIInChI=1S/C11H13ClN2/c1-9-8-14(7-6-13-9)11-4-2-10(12)3-5-11/h2-5,13H,1,6-8H2
InChIKeyZOASWIKBTNEOBY-UHFFFAOYSA-N
XLogP2.26
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.69
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-methylidenepiperazine?
The IUPAC name of 1-(4-chlorophenyl)-3-methylidenepiperazine (CID 143791533) is 1-(4-chlorophenyl)-3-methylidenepiperazine.
What is the SMILES notation for 1-(4-chlorophenyl)-3-methylidenepiperazine?
The canonical SMILES for 1-(4-chlorophenyl)-3-methylidenepiperazine is C=C1CN(c2ccc(Cl)cc2)CCN1.
What is the InChIKey of 1-(4-chlorophenyl)-3-methylidenepiperazine?
The InChIKey is ZOASWIKBTNEOBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2/c1-9-8-14(7-6-13-9)11-4-2-10(12)3-5-11/h2-5,13H,1,6-8H2.
What are the key properties of 1-(4-chlorophenyl)-3-methylidenepiperazine?
1-(4-chlorophenyl)-3-methylidenepiperazine has a molecular weight of 208.69 g/mol, XLogP of 2.26, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-methylidenepiperazine is sourced from PubChem (CID 143791533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).