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

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Related Compounds

1-(2-methylpropyl)-4-(2-piperidin-4-ylsulfanylethyl)piperazine
CID 114628559
1-[2-(oxan-4-ylsulfanyl)ethyl]piperazine
CID 62990691
2-[4-[2-(1,4-diazepan-1-yl)ethyl]piperazin-1-yl]-N,N-dimethylethanamine
CID 62887962
(2S,6R)-2,6-dimethyl-1-(2-piperidin-4-ylsulfanylethyl)piperidine
CID 104967759
2,3-dimethyl-1-(2-piperidin-4-ylsulfanylethyl)piperidine
CID 114628545
N,3-dimethyl-N-(2-piperidin-4-ylsulfanylethyl)butan-1-amine
CID 114628366
N,N-dimethyl-2-(4-methylpiperazin-1-yl)ethanamine;ethane
CID 143417406
N,N-dimethyl-2-[4-[(2-methylpyrrolidin-3-yl)methyl]piperazin-1-yl]ethanamine
CID 79383942
2-cyclobutylsulfanyl-N,N-dimethylethanamine
CID 126992283
4-(2-fluoroethylsulfanyl)piperidine
CID 84651739
N,N,N'-trimethyl-N'-(2-piperazin-1-ylethyl)propane-1,3-diamine
CID 63695224
2-methyl-N-(2-piperidin-4-ylsulfanylethyl)-N-propan-2-ylpropan-1-amine
CID 114628447

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).