2,5,5-trimethyl-1-[(5-methylthiophen-2-yl)methyl]piperazine

C13H22N2S — CID 64946588

IUPAC2,5,5-trimethyl-1-[(5-methylthiophen-2-yl)methyl]piperazine
SMILESCc1ccc(CN2CC(C)(C)NCC2C)s1
InChIInChI=1S/C13H22N2S/c1-10-7-14-13(3,4)9-15(10)8-12-6-5-11(2)16-12/h5-6,10,14H,7-9H2,1-4H3
InChIKeyAFNCAIVWRVMIIE-UHFFFAOYSA-N
MW238.40 g/mol
LogP2.63
Rot. Bonds2

About 2,5,5-trimethyl-1-[(5-methylthiophen-2-yl)methyl]piperazine

2,5,5-trimethyl-1-[(5-methylthiophen-2-yl)methyl]piperazine (PubChem CID 64946588) has the molecular formula C13H22N2S and a molecular weight of 238.40 g/mol. Its IUPAC name is 2,5,5-trimethyl-1-[(5-methylthiophen-2-yl)methyl]piperazine.

Molecular Properties

Compound Name2,5,5-trimethyl-1-[(5-methylthiophen-2-yl)methyl]piperazine
PubChem CID64946588
Molecular FormulaC13H22N2S
Molecular Weight238.40 g/mol
Exact Mass238.15
IUPAC Name2,5,5-trimethyl-1-[(5-methylthiophen-2-yl)methyl]piperazine
SMILESCc1ccc(CN2CC(C)(C)NCC2C)s1
InChIInChI=1S/C13H22N2S/c1-10-7-14-13(3,4)9-15(10)8-12-6-5-11(2)16-12/h5-6,10,14H,7-9H2,1-4H3
InChIKeyAFNCAIVWRVMIIE-UHFFFAOYSA-N
XLogP2.63
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.40
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethyl-1-[(5-ethylthiophen-2-yl)methyl]-5,5-dimethylpiperazine
CID 64840265
1-[(4-iodophenyl)methyl]-2,5,5-trimethylpiperazine
CID 65491363
2-tert-butyl-1-[(5-ethylthiophen-2-yl)methyl]-5,5-dimethylpiperazine
CID 64839737
5-methyl-2-[(2,5,5-trimethylpiperazin-1-yl)methyl]-1,3-oxazole
CID 106376719
2-[(2,5,5-trimethylpiperazin-1-yl)methyl]-1,3-benzothiazole
CID 104632221
2-butan-2-yl-1-[(5-chlorothiophen-2-yl)methyl]-5,5-dimethylpiperazine
CID 64838162
2,5,5-trimethyl-1-[(1-methylpyrazol-4-yl)methyl]piperazine
CID 64839289
1-[(3-chloro-2-fluorophenyl)methyl]-2,5,5-trimethylpiperazine
CID 102862477
4-methyl-5-[(5-methylthiophen-2-yl)methyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 66211275
1-(cyclopropylmethyl)-2,5,5-trimethylpiperazine
CID 64840059
3,3,7-trimethyl-1-(thiophen-2-ylmethyl)-1,4-diazepane
CID 64869207
9-[(4,5-dimethylthiophen-2-yl)methyl]-8-methyl-6,9-diazaspiro[4.5]decane
CID 65245286

Frequently Asked Questions

What is the IUPAC name of 2,5,5-trimethyl-1-[(5-methylthiophen-2-yl)methyl]piperazine?
The IUPAC name of 2,5,5-trimethyl-1-[(5-methylthiophen-2-yl)methyl]piperazine (CID 64946588) is 2,5,5-trimethyl-1-[(5-methylthiophen-2-yl)methyl]piperazine.
What is the SMILES notation for 2,5,5-trimethyl-1-[(5-methylthiophen-2-yl)methyl]piperazine?
The canonical SMILES for 2,5,5-trimethyl-1-[(5-methylthiophen-2-yl)methyl]piperazine is Cc1ccc(CN2CC(C)(C)NCC2C)s1.
What is the InChIKey of 2,5,5-trimethyl-1-[(5-methylthiophen-2-yl)methyl]piperazine?
The InChIKey is AFNCAIVWRVMIIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2S/c1-10-7-14-13(3,4)9-15(10)8-12-6-5-11(2)16-12/h5-6,10,14H,7-9H2,1-4H3.
What are the key properties of 2,5,5-trimethyl-1-[(5-methylthiophen-2-yl)methyl]piperazine?
2,5,5-trimethyl-1-[(5-methylthiophen-2-yl)methyl]piperazine has a molecular weight of 238.40 g/mol, XLogP of 2.63, 2 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-[(5-methylthiophen-2-yl)methyl]piperazine is sourced from PubChem (CID 64946588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).