1-(2,4-dimethylpiperazin-1-yl)-2-piperidin-4-ylsulfanylethanone

C13H25N3OS — CID 114085746

IUPAC1-(2,4-dimethylpiperazin-1-yl)-2-piperidin-4-ylsulfanylethanone
SMILESCC1CN(C)CCN1C(=O)CSC1CCNCC1
InChIInChI=1S/C13H25N3OS/c1-11-9-15(2)7-8-16(11)13(17)10-18-12-3-5-14-6-4-12/h11-12,14H,3-10H2,1-2H3
InChIKeyYZGPDHPMVGDTLH-UHFFFAOYSA-N
MW271.43 g/mol
LogP0.63
Rot. Bonds3

About 1-(2,4-dimethylpiperazin-1-yl)-2-piperidin-4-ylsulfanylethanone

1-(2,4-dimethylpiperazin-1-yl)-2-piperidin-4-ylsulfanylethanone (PubChem CID 114085746) has the molecular formula C13H25N3OS and a molecular weight of 271.43 g/mol. Its IUPAC name is 1-(2,4-dimethylpiperazin-1-yl)-2-piperidin-4-ylsulfanylethanone.

Molecular Properties

Compound Name1-(2,4-dimethylpiperazin-1-yl)-2-piperidin-4-ylsulfanylethanone
PubChem CID114085746
Molecular FormulaC13H25N3OS
Molecular Weight271.43 g/mol
Exact Mass271.17
IUPAC Name1-(2,4-dimethylpiperazin-1-yl)-2-piperidin-4-ylsulfanylethanone
SMILESCC1CN(C)CCN1C(=O)CSC1CCNCC1
InChIInChI=1S/C13H25N3OS/c1-11-9-15(2)7-8-16(11)13(17)10-18-12-3-5-14-6-4-12/h11-12,14H,3-10H2,1-2H3
InChIKeyYZGPDHPMVGDTLH-UHFFFAOYSA-N
XLogP0.63
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.43
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethylpiperazin-1-yl)-2-piperidin-4-ylsulfanylethanone?
The IUPAC name of 1-(2,4-dimethylpiperazin-1-yl)-2-piperidin-4-ylsulfanylethanone (CID 114085746) is 1-(2,4-dimethylpiperazin-1-yl)-2-piperidin-4-ylsulfanylethanone.
What is the SMILES notation for 1-(2,4-dimethylpiperazin-1-yl)-2-piperidin-4-ylsulfanylethanone?
The canonical SMILES for 1-(2,4-dimethylpiperazin-1-yl)-2-piperidin-4-ylsulfanylethanone is CC1CN(C)CCN1C(=O)CSC1CCNCC1.
What is the InChIKey of 1-(2,4-dimethylpiperazin-1-yl)-2-piperidin-4-ylsulfanylethanone?
The InChIKey is YZGPDHPMVGDTLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3OS/c1-11-9-15(2)7-8-16(11)13(17)10-18-12-3-5-14-6-4-12/h11-12,14H,3-10H2,1-2H3.
What are the key properties of 1-(2,4-dimethylpiperazin-1-yl)-2-piperidin-4-ylsulfanylethanone?
1-(2,4-dimethylpiperazin-1-yl)-2-piperidin-4-ylsulfanylethanone has a molecular weight of 271.43 g/mol, XLogP of 0.63, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethylpiperazin-1-yl)-2-piperidin-4-ylsulfanylethanone is sourced from PubChem (CID 114085746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).