N,N-dimethyl-2-[4-(2-piperidin-4-ylsulfanylethyl)piperazin-1-yl]ethanamine

C15H32N4S — CID 114628566

IUPACN,N-dimethyl-2-[4-(2-piperidin-4-ylsulfanylethyl)piperazin-1-yl]ethanamine
SMILESCN(C)CCN1CCN(CCSC2CCNCC2)CC1
InChIInChI=1S/C15H32N4S/c1-17(2)7-8-18-9-11-19(12-10-18)13-14-20-15-3-5-16-6-4-15/h15-16H,3-14H2,1-2H3
InChIKeyUTEAJEQYABODRK-UHFFFAOYSA-N
MW300.52 g/mol
LogP0.65
Rot. Bonds7

About N,N-dimethyl-2-[4-(2-piperidin-4-ylsulfanylethyl)piperazin-1-yl]ethanamine

N,N-dimethyl-2-[4-(2-piperidin-4-ylsulfanylethyl)piperazin-1-yl]ethanamine (PubChem CID 114628566) has the molecular formula C15H32N4S and a molecular weight of 300.52 g/mol. Its IUPAC name is N,N-dimethyl-2-[4-(2-piperidin-4-ylsulfanylethyl)piperazin-1-yl]ethanamine.

Molecular Properties

Compound NameN,N-dimethyl-2-[4-(2-piperidin-4-ylsulfanylethyl)piperazin-1-yl]ethanamine
PubChem CID114628566
Molecular FormulaC15H32N4S
Molecular Weight300.52 g/mol
Exact Mass300.23
IUPAC NameN,N-dimethyl-2-[4-(2-piperidin-4-ylsulfanylethyl)piperazin-1-yl]ethanamine
SMILESCN(C)CCN1CCN(CCSC2CCNCC2)CC1
InChIInChI=1S/C15H32N4S/c1-17(2)7-8-18-9-11-19(12-10-18)13-14-20-15-3-5-16-6-4-15/h15-16H,3-14H2,1-2H3
InChIKeyUTEAJEQYABODRK-UHFFFAOYSA-N
XLogP0.65
TPSA21.75 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.52
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N,N-dimethyl-2-[4-(2-piperidin-4-ylsulfanylethyl)piperazin-1-yl]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[4-(2-piperidin-4-ylsulfanylethyl)piperazin-1-yl]ethanamine?
The IUPAC name of N,N-dimethyl-2-[4-(2-piperidin-4-ylsulfanylethyl)piperazin-1-yl]ethanamine (CID 114628566) is N,N-dimethyl-2-[4-(2-piperidin-4-ylsulfanylethyl)piperazin-1-yl]ethanamine.
What is the SMILES notation for N,N-dimethyl-2-[4-(2-piperidin-4-ylsulfanylethyl)piperazin-1-yl]ethanamine?
The canonical SMILES for N,N-dimethyl-2-[4-(2-piperidin-4-ylsulfanylethyl)piperazin-1-yl]ethanamine is CN(C)CCN1CCN(CCSC2CCNCC2)CC1.
What is the InChIKey of N,N-dimethyl-2-[4-(2-piperidin-4-ylsulfanylethyl)piperazin-1-yl]ethanamine?
The InChIKey is UTEAJEQYABODRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N4S/c1-17(2)7-8-18-9-11-19(12-10-18)13-14-20-15-3-5-16-6-4-15/h15-16H,3-14H2,1-2H3.
What are the key properties of N,N-dimethyl-2-[4-(2-piperidin-4-ylsulfanylethyl)piperazin-1-yl]ethanamine?
N,N-dimethyl-2-[4-(2-piperidin-4-ylsulfanylethyl)piperazin-1-yl]ethanamine has a molecular weight of 300.52 g/mol, XLogP of 0.65, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[4-(2-piperidin-4-ylsulfanylethyl)piperazin-1-yl]ethanamine is sourced from PubChem (CID 114628566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).