1-[(4-cyclopropylsulfanylphenyl)methyl]piperazine

C14H20N2S — CID 117374711

IUPAC1-[(4-cyclopropylsulfanylphenyl)methyl]piperazine
SMILESc1cc(SC2CC2)ccc1CN1CCNCC1
InChIInChI=1S/C14H20N2S/c1-3-13(17-14-5-6-14)4-2-12(1)11-16-9-7-15-8-10-16/h1-4,14-15H,5-11H2
InChIKeyVWCQEJZLIHLLED-UHFFFAOYSA-N
MW248.39 g/mol
LogP2.35
Rot. Bonds4

About 1-[(4-cyclopropylsulfanylphenyl)methyl]piperazine

1-[(4-cyclopropylsulfanylphenyl)methyl]piperazine (PubChem CID 117374711) has the molecular formula C14H20N2S and a molecular weight of 248.39 g/mol. Its IUPAC name is 1-[(4-cyclopropylsulfanylphenyl)methyl]piperazine.

Molecular Properties

Compound Name1-[(4-cyclopropylsulfanylphenyl)methyl]piperazine
PubChem CID117374711
Molecular FormulaC14H20N2S
Molecular Weight248.39 g/mol
Exact Mass248.13
IUPAC Name1-[(4-cyclopropylsulfanylphenyl)methyl]piperazine
SMILESc1cc(SC2CC2)ccc1CN1CCNCC1
InChIInChI=1S/C14H20N2S/c1-3-13(17-14-5-6-14)4-2-12(1)11-16-9-7-15-8-10-16/h1-4,14-15H,5-11H2
InChIKeyVWCQEJZLIHLLED-UHFFFAOYSA-N
XLogP2.35
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.39
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-cyclopropylsulfanylphenyl)methyl]piperazine?
The IUPAC name of 1-[(4-cyclopropylsulfanylphenyl)methyl]piperazine (CID 117374711) is 1-[(4-cyclopropylsulfanylphenyl)methyl]piperazine.
What is the SMILES notation for 1-[(4-cyclopropylsulfanylphenyl)methyl]piperazine?
The canonical SMILES for 1-[(4-cyclopropylsulfanylphenyl)methyl]piperazine is c1cc(SC2CC2)ccc1CN1CCNCC1.
What is the InChIKey of 1-[(4-cyclopropylsulfanylphenyl)methyl]piperazine?
The InChIKey is VWCQEJZLIHLLED-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2S/c1-3-13(17-14-5-6-14)4-2-12(1)11-16-9-7-15-8-10-16/h1-4,14-15H,5-11H2.
What are the key properties of 1-[(4-cyclopropylsulfanylphenyl)methyl]piperazine?
1-[(4-cyclopropylsulfanylphenyl)methyl]piperazine has a molecular weight of 248.39 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-cyclopropylsulfanylphenyl)methyl]piperazine is sourced from PubChem (CID 117374711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).