1-(2-chlorophenyl)-4-prop-1-en-2-ylpiperazine

C13H17ClN2 — CID 142506773

IUPAC1-(2-chlorophenyl)-4-prop-1-en-2-ylpiperazine
SMILESC=C(C)N1CCN(c2ccccc2Cl)CC1
InChIInChI=1S/C13H17ClN2/c1-11(2)15-7-9-16(10-8-15)13-6-4-3-5-12(13)14/h3-6H,1,7-10H2,2H3
InChIKeySVZOTJQDICBIJR-UHFFFAOYSA-N
MW236.75 g/mol
LogP3.00
Rot. Bonds2

About 1-(2-chlorophenyl)-4-prop-1-en-2-ylpiperazine

1-(2-chlorophenyl)-4-prop-1-en-2-ylpiperazine (PubChem CID 142506773) has the molecular formula C13H17ClN2 and a molecular weight of 236.75 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-4-prop-1-en-2-ylpiperazine.

Molecular Properties

Compound Name1-(2-chlorophenyl)-4-prop-1-en-2-ylpiperazine
PubChem CID142506773
Molecular FormulaC13H17ClN2
Molecular Weight236.75 g/mol
Exact Mass236.11
IUPAC Name1-(2-chlorophenyl)-4-prop-1-en-2-ylpiperazine
SMILESC=C(C)N1CCN(c2ccccc2Cl)CC1
InChIInChI=1S/C13H17ClN2/c1-11(2)15-7-9-16(10-8-15)13-6-4-3-5-12(13)14/h3-6H,1,7-10H2,2H3
InChIKeySVZOTJQDICBIJR-UHFFFAOYSA-N
XLogP3.00
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.75
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-Chlorophenyl)piperazine
CID 1355
1,1-Dimethyl-4-phenylpiperazinium iodide
CID 5911
1-(2,3-Dichlorophenyl)piperazine
CID 851833
1-(3-Chlorophenyl)piperazine monohydrochloride
CID 25681
1-(4-Chlorophenyl)piperazine
CID 97478
1-(2-Chlorophenyl)piperazine
CID 415628
1-(3-Chlorophenyl)piperazine dihydrochloride
CID 11957487
2,6-Dichloro-N,N-dimethylaniline
CID 42057
1-(4-Chlorophenyl)-2-methylpiperazine
CID 98289
4-Chloro-N,N-dimethylaniline
CID 136530
1-(3-Chlorophenyl)-4-(3-chloropropyl)piperazinium chloride
CID 13035120
3-Chloro-4-(4-methylpiperidin-1-yl)aniline
CID 937604

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-4-prop-1-en-2-ylpiperazine?
The IUPAC name of 1-(2-chlorophenyl)-4-prop-1-en-2-ylpiperazine (CID 142506773) is 1-(2-chlorophenyl)-4-prop-1-en-2-ylpiperazine.
What is the SMILES notation for 1-(2-chlorophenyl)-4-prop-1-en-2-ylpiperazine?
The canonical SMILES for 1-(2-chlorophenyl)-4-prop-1-en-2-ylpiperazine is C=C(C)N1CCN(c2ccccc2Cl)CC1.
What is the InChIKey of 1-(2-chlorophenyl)-4-prop-1-en-2-ylpiperazine?
The InChIKey is SVZOTJQDICBIJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2/c1-11(2)15-7-9-16(10-8-15)13-6-4-3-5-12(13)14/h3-6H,1,7-10H2,2H3.
What are the key properties of 1-(2-chlorophenyl)-4-prop-1-en-2-ylpiperazine?
1-(2-chlorophenyl)-4-prop-1-en-2-ylpiperazine has a molecular weight of 236.75 g/mol, XLogP of 3.00, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-4-prop-1-en-2-ylpiperazine is sourced from PubChem (CID 142506773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).