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

C13H17ClN2 — CID 120770958

IUPAC2-(3-chlorophenyl)-1-prop-2-enylpiperazine
SMILESC=CCN1CCNCC1c1cccc(Cl)c1
InChIInChI=1S/C13H17ClN2/c1-2-7-16-8-6-15-10-13(16)11-4-3-5-12(14)9-11/h2-5,9,13,15H,1,6-8,10H2
InChIKeyKLKCLGRBMJUFMB-UHFFFAOYSA-N
MW236.75 g/mol
LogP2.47
Rot. Bonds3

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

2-(3-chlorophenyl)-1-prop-2-enylpiperazine (PubChem CID 120770958) has the molecular formula C13H17ClN2 and a molecular weight of 236.75 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-1-prop-2-enylpiperazine.

Molecular Properties

Compound Name2-(3-chlorophenyl)-1-prop-2-enylpiperazine
PubChem CID120770958
Molecular FormulaC13H17ClN2
Molecular Weight236.75 g/mol
Exact Mass236.11
IUPAC Name2-(3-chlorophenyl)-1-prop-2-enylpiperazine
SMILESC=CCN1CCNCC1c1cccc(Cl)c1
InChIInChI=1S/C13H17ClN2/c1-2-7-16-8-6-15-10-13(16)11-4-3-5-12(14)9-11/h2-5,9,13,15H,1,6-8,10H2
InChIKeyKLKCLGRBMJUFMB-UHFFFAOYSA-N
XLogP2.47
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 ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-but-3-enyl-2-(3-chlorophenyl)piperazine;hydrochloride
CID 120771105
1-prop-2-enyl-2-pyridin-3-ylpiperazine;hydrochloride
CID 120754736
3-[[2-(3-chlorophenyl)piperazin-1-yl]methyl]phenol;hydrochloride
CID 120780112
2-(3-chlorophenyl)-1-(pyridin-3-ylmethyl)piperazine
CID 120780257
2-[2-(3-chlorophenyl)piperazin-1-yl]-N,N-di(propan-2-yl)acetamide
CID 120770819
2-(3-chlorophenyl)-1-(1H-pyrazol-5-ylmethyl)piperazine;hydrochloride
CID 120780214
2-(3-chlorophenyl)-1-(thiolan-3-ylmethyl)piperazine
CID 120846887
2-(3-chlorophenyl)-1-[2-(oxolan-3-yl)ethyl]piperazine;hydrochloride
CID 120846874
1-[2-(benzenesulfonyl)ethyl]-2-(3-chlorophenyl)piperazine
CID 120770978
4-[[2-(3-chlorophenyl)piperazin-1-yl]methyl]-2-ethyl-1,3-thiazole;hydrochloride
CID 120780162
2-(3-chlorophenyl)-1-[(5-fluoro-3-pyridinyl)methyl]piperazine;hydrochloride
CID 120780146
2-(3-chlorophenyl)-1-[(6-methyl-3-pyridinyl)methyl]piperazine
CID 120780051

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-1-prop-2-enylpiperazine?
The IUPAC name of 2-(3-chlorophenyl)-1-prop-2-enylpiperazine (CID 120770958) is 2-(3-chlorophenyl)-1-prop-2-enylpiperazine.
What is the SMILES notation for 2-(3-chlorophenyl)-1-prop-2-enylpiperazine?
The canonical SMILES for 2-(3-chlorophenyl)-1-prop-2-enylpiperazine is C=CCN1CCNCC1c1cccc(Cl)c1.
What is the InChIKey of 2-(3-chlorophenyl)-1-prop-2-enylpiperazine?
The InChIKey is KLKCLGRBMJUFMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2/c1-2-7-16-8-6-15-10-13(16)11-4-3-5-12(14)9-11/h2-5,9,13,15H,1,6-8,10H2.
What are the key properties of 2-(3-chlorophenyl)-1-prop-2-enylpiperazine?
2-(3-chlorophenyl)-1-prop-2-enylpiperazine has a molecular weight of 236.75 g/mol, XLogP of 2.47, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-1-prop-2-enylpiperazine is sourced from PubChem (CID 120770958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).