1-(2-chloro-4-methylsulfanylphenyl)-4-cyclopropylpiperazine

C14H19ClN2S — CID 138531687

IUPAC1-(2-chloro-4-methylsulfanylphenyl)-4-cyclopropylpiperazine
SMILESCSc1ccc(N2CCN(C3CC3)CC2)c(Cl)c1
InChIInChI=1S/C14H19ClN2S/c1-18-12-4-5-14(13(15)10-12)17-8-6-16(7-9-17)11-2-3-11/h4-5,10-11H,2-3,6-9H2,1H3
InChIKeyCVDGEANDVUHWEC-UHFFFAOYSA-N
MW282.84 g/mol
LogP3.35
Rot. Bonds3

About 1-(2-chloro-4-methylsulfanylphenyl)-4-cyclopropylpiperazine

1-(2-chloro-4-methylsulfanylphenyl)-4-cyclopropylpiperazine (PubChem CID 138531687) has the molecular formula C14H19ClN2S and a molecular weight of 282.84 g/mol. Its IUPAC name is 1-(2-chloro-4-methylsulfanylphenyl)-4-cyclopropylpiperazine.

Molecular Properties

Compound Name1-(2-chloro-4-methylsulfanylphenyl)-4-cyclopropylpiperazine
PubChem CID138531687
Molecular FormulaC14H19ClN2S
Molecular Weight282.84 g/mol
Exact Mass282.10
IUPAC Name1-(2-chloro-4-methylsulfanylphenyl)-4-cyclopropylpiperazine
SMILESCSc1ccc(N2CCN(C3CC3)CC2)c(Cl)c1
InChIInChI=1S/C14H19ClN2S/c1-18-12-4-5-14(13(15)10-12)17-8-6-16(7-9-17)11-2-3-11/h4-5,10-11H,2-3,6-9H2,1H3
InChIKeyCVDGEANDVUHWEC-UHFFFAOYSA-N
XLogP3.35
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.84
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4-methylsulfanylphenyl)-4-cyclopropylpiperazine?
The IUPAC name of 1-(2-chloro-4-methylsulfanylphenyl)-4-cyclopropylpiperazine (CID 138531687) is 1-(2-chloro-4-methylsulfanylphenyl)-4-cyclopropylpiperazine.
What is the SMILES notation for 1-(2-chloro-4-methylsulfanylphenyl)-4-cyclopropylpiperazine?
The canonical SMILES for 1-(2-chloro-4-methylsulfanylphenyl)-4-cyclopropylpiperazine is CSc1ccc(N2CCN(C3CC3)CC2)c(Cl)c1.
What is the InChIKey of 1-(2-chloro-4-methylsulfanylphenyl)-4-cyclopropylpiperazine?
The InChIKey is CVDGEANDVUHWEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2S/c1-18-12-4-5-14(13(15)10-12)17-8-6-16(7-9-17)11-2-3-11/h4-5,10-11H,2-3,6-9H2,1H3.
What are the key properties of 1-(2-chloro-4-methylsulfanylphenyl)-4-cyclopropylpiperazine?
1-(2-chloro-4-methylsulfanylphenyl)-4-cyclopropylpiperazine has a molecular weight of 282.84 g/mol, XLogP of 3.35, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4-methylsulfanylphenyl)-4-cyclopropylpiperazine is sourced from PubChem (CID 138531687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).