1-(3-chlorophenyl)-3-prop-2-enylpiperazine

C13H17ClN2 — CID 66967920

IUPAC1-(3-chlorophenyl)-3-prop-2-enylpiperazine
SMILESC=CCC1CN(c2cccc(Cl)c2)CCN1
InChIInChI=1S/C13H17ClN2/c1-2-4-12-10-16(8-7-15-12)13-6-3-5-11(14)9-13/h2-3,5-6,9,12,15H,1,4,7-8,10H2
InChIKeyNIFSCYAUSQBEMK-UHFFFAOYSA-N
MW236.75 g/mol
LogP2.69
Rot. Bonds3

About 1-(3-chlorophenyl)-3-prop-2-enylpiperazine

1-(3-chlorophenyl)-3-prop-2-enylpiperazine (PubChem CID 66967920) has the molecular formula C13H17ClN2 and a molecular weight of 236.75 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-3-prop-2-enylpiperazine.

Molecular Properties

Compound Name1-(3-chlorophenyl)-3-prop-2-enylpiperazine
PubChem CID66967920
Molecular FormulaC13H17ClN2
Molecular Weight236.75 g/mol
Exact Mass236.11
IUPAC Name1-(3-chlorophenyl)-3-prop-2-enylpiperazine
SMILESC=CCC1CN(c2cccc(Cl)c2)CCN1
InChIInChI=1S/C13H17ClN2/c1-2-4-12-10-16(8-7-15-12)13-6-3-5-11(14)9-13/h2-3,5-6,9,12,15H,1,4,7-8,10H2
InChIKeyNIFSCYAUSQBEMK-UHFFFAOYSA-N
XLogP2.69
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.75
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-3-prop-2-enylpiperazine?
The IUPAC name of 1-(3-chlorophenyl)-3-prop-2-enylpiperazine (CID 66967920) is 1-(3-chlorophenyl)-3-prop-2-enylpiperazine.
What is the SMILES notation for 1-(3-chlorophenyl)-3-prop-2-enylpiperazine?
The canonical SMILES for 1-(3-chlorophenyl)-3-prop-2-enylpiperazine is C=CCC1CN(c2cccc(Cl)c2)CCN1.
What is the InChIKey of 1-(3-chlorophenyl)-3-prop-2-enylpiperazine?
The InChIKey is NIFSCYAUSQBEMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2/c1-2-4-12-10-16(8-7-15-12)13-6-3-5-11(14)9-13/h2-3,5-6,9,12,15H,1,4,7-8,10H2.
What are the key properties of 1-(3-chlorophenyl)-3-prop-2-enylpiperazine?
1-(3-chlorophenyl)-3-prop-2-enylpiperazine has a molecular weight of 236.75 g/mol, XLogP of 2.69, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-3-prop-2-enylpiperazine is sourced from PubChem (CID 66967920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).