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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Related Compounds

(1R)-1-[3-chloro-4-(4-cyclopropylpiperazin-1-yl)phenyl]ethanamine
CID 78934597
1-[3-chloro-4-(4-cyclopropylpiperazin-1-yl)phenyl]ethanone
CID 55130715
1-[3-chloro-4-(4-cyclopropylpiperazin-1-yl)phenyl]ethanol
CID 62909724
[3-chloro-4-(4-cyclopropylpiperazin-1-yl)phenyl]methanamine
CID 63089006
8-(2-chloro-4-methylsulfanylphenyl)-1,4-dioxa-8-azaspiro[4.5]decane
CID 118904232
N-[[3-chloro-4-(4-cyclopropylpiperazin-1-yl)phenyl]methyl]ethanamine
CID 81149173
1-[2-chloro-4-(chloromethyl)phenyl]-4-cyclopentylpiperazine
CID 81152611
1-[2-chloro-6-(4-cyclopropylpiperazin-1-yl)phenyl]-N-methylmethanamine
CID 61445796
1-[2-(chloromethyl)-4-methylphenyl]-4-cyclopropylpiperazine
CID 114054621
2-chloro-6-(4-cyclopropylpiperazin-1-yl)aniline
CID 104834247
4-(4-cyclopropylpiperazin-1-yl)-3-methylaniline
CID 61440602
1-[[5-(4-cyclopropylpiperazin-1-yl)-2-(3,4-dichlorophenoxy)phenyl]methyl]-2-[[5-(4-cyclopropylpiperazin-1-yl)-2-(4-methylsulfanylphenoxy)phenyl]methyl]-1,2-dimethylhydrazine
CID 68938565

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).