2,5,5-trimethyl-1-(6-methylsulfanylhexyl)piperazine

C14H30N2S — CID 114124990

IUPAC2,5,5-trimethyl-1-(6-methylsulfanylhexyl)piperazine
SMILESCSCCCCCCN1CC(C)(C)NCC1C
InChIInChI=1S/C14H30N2S/c1-13-11-15-14(2,3)12-16(13)9-7-5-6-8-10-17-4/h13,15H,5-12H2,1-4H3
InChIKeyCVFRRNOHHYYQIB-UHFFFAOYSA-N
MW258.47 g/mol
LogP2.98
Rot. Bonds7

About 2,5,5-trimethyl-1-(6-methylsulfanylhexyl)piperazine

2,5,5-trimethyl-1-(6-methylsulfanylhexyl)piperazine (PubChem CID 114124990) has the molecular formula C14H30N2S and a molecular weight of 258.47 g/mol. Its IUPAC name is 2,5,5-trimethyl-1-(6-methylsulfanylhexyl)piperazine.

Molecular Properties

Compound Name2,5,5-trimethyl-1-(6-methylsulfanylhexyl)piperazine
PubChem CID114124990
Molecular FormulaC14H30N2S
Molecular Weight258.47 g/mol
Exact Mass258.21
IUPAC Name2,5,5-trimethyl-1-(6-methylsulfanylhexyl)piperazine
SMILESCSCCCCCCN1CC(C)(C)NCC1C
InChIInChI=1S/C14H30N2S/c1-13-11-15-14(2,3)12-16(13)9-7-5-6-8-10-17-4/h13,15H,5-12H2,1-4H3
InChIKeyCVFRRNOHHYYQIB-UHFFFAOYSA-N
XLogP2.98
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.47
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2,5,5-trimethyl-1-pent-4-ynylpiperazine
CID 106221984
1-(3-ethoxypropyl)-2,5,5-trimethylpiperazine
CID 64931860
2,5,5-trimethyl-1-(4-phenylbutyl)piperazine
CID 114334930
1-(2-butoxyethyl)-2,5,5-trimethylpiperazine
CID 64840639
1-(cyclopropylmethyl)-2,5,5-trimethylpiperazine
CID 64840059
1-(cyclobutylmethyl)-2,5,5-trimethylpiperazine
CID 64934999
5,5-dimethyl-1-(2-methylsulfanylethyl)-2-propan-2-ylpiperazine
CID 64941038
2,5,5-trimethyl-1-[2-(3-methylbutoxy)ethyl]piperazine
CID 64839085
2,5,5-trimethyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperazine
CID 64840444
2,5,5-trimethyl-1-[2-(oxolan-2-yl)ethyl]piperazine
CID 64947488
1-butyl-5-ethyl-2,5-dimethylpiperazine
CID 64849431
1-[2-(2,5,5-trimethylpiperazin-1-yl)ethyl]pyridin-2-one
CID 82908045

Frequently Asked Questions

What is the IUPAC name of 2,5,5-trimethyl-1-(6-methylsulfanylhexyl)piperazine?
The IUPAC name of 2,5,5-trimethyl-1-(6-methylsulfanylhexyl)piperazine (CID 114124990) is 2,5,5-trimethyl-1-(6-methylsulfanylhexyl)piperazine.
What is the SMILES notation for 2,5,5-trimethyl-1-(6-methylsulfanylhexyl)piperazine?
The canonical SMILES for 2,5,5-trimethyl-1-(6-methylsulfanylhexyl)piperazine is CSCCCCCCN1CC(C)(C)NCC1C.
What is the InChIKey of 2,5,5-trimethyl-1-(6-methylsulfanylhexyl)piperazine?
The InChIKey is CVFRRNOHHYYQIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2S/c1-13-11-15-14(2,3)12-16(13)9-7-5-6-8-10-17-4/h13,15H,5-12H2,1-4H3.
What are the key properties of 2,5,5-trimethyl-1-(6-methylsulfanylhexyl)piperazine?
2,5,5-trimethyl-1-(6-methylsulfanylhexyl)piperazine has a molecular weight of 258.47 g/mol, XLogP of 2.98, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5,5-trimethyl-1-(6-methylsulfanylhexyl)piperazine is sourced from PubChem (CID 114124990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).