1-(3,3-dimethylbutyl)-4-(2-methylsulfanylpropan-2-yl)piperazine

C14H30N2S — CID 129258640

IUPAC1-(3,3-dimethylbutyl)-4-(2-methylsulfanylpropan-2-yl)piperazine
SMILESCSC(C)(C)N1CCN(CCC(C)(C)C)CC1
InChIInChI=1S/C14H30N2S/c1-13(2,3)7-8-15-9-11-16(12-10-15)14(4,5)17-6/h7-12H2,1-6H3
InChIKeyOIHZRWFTIMAHBA-UHFFFAOYSA-N
MW258.47 g/mol
LogP3.14
Rot. Bonds4

About 1-(3,3-dimethylbutyl)-4-(2-methylsulfanylpropan-2-yl)piperazine

1-(3,3-dimethylbutyl)-4-(2-methylsulfanylpropan-2-yl)piperazine (PubChem CID 129258640) has the molecular formula C14H30N2S and a molecular weight of 258.47 g/mol. Its IUPAC name is 1-(3,3-dimethylbutyl)-4-(2-methylsulfanylpropan-2-yl)piperazine.

Molecular Properties

Compound Name1-(3,3-dimethylbutyl)-4-(2-methylsulfanylpropan-2-yl)piperazine
PubChem CID129258640
Molecular FormulaC14H30N2S
Molecular Weight258.47 g/mol
Exact Mass258.21
IUPAC Name1-(3,3-dimethylbutyl)-4-(2-methylsulfanylpropan-2-yl)piperazine
SMILESCSC(C)(C)N1CCN(CCC(C)(C)C)CC1
InChIInChI=1S/C14H30N2S/c1-13(2,3)7-8-15-9-11-16(12-10-15)14(4,5)17-6/h7-12H2,1-6H3
InChIKeyOIHZRWFTIMAHBA-UHFFFAOYSA-N
XLogP3.14
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.47
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,3-dimethylbutyl)-4-methylpiperazine;ethane
CID 145236948
1-(3,3-dimethylbutyl)azocane
CID 166986973
N-[3-[4-(3,3-dimethylbutyl)piperazin-1-yl]propyl]-2-methylpropan-2-amine
CID 126654304
1-[2-(3,3-dimethylbutoxy)ethyl]-4-(3,3-dimethylbutyl)piperazine
CID 139545699
4-[4-(3,3-dimethylbutyl)piperazin-1-yl]butan-2-one
CID 58171906
4-(3,3-dimethylbutyl)-1,4-thiazinane 1-oxide
CID 68641609
1-tert-butyl-4-(3,3,3-trifluoropropyl)piperazine
CID 59520016
1-(3,3-dimethylbutyl)-4-propan-2-ylpiperidine
CID 135173969
2-tert-butyl-8-(3,3-dimethylbutyl)-2,8-diazaspiro[4.5]decane
CID 153486080
tert-butyl 4-(3,3-dimethylbutyl)piperazine-1-carboxylate;ethane
CID 143188940
1-(3,3-dimethylbutyl)-4-(4,4-dimethylpentyl)piperidine
CID 176826648
1-[2-(3,3-dimethylbutoxy)ethyl]-4-methylsulfanylpiperazine
CID 146617007

Frequently Asked Questions

What is the IUPAC name of 1-(3,3-dimethylbutyl)-4-(2-methylsulfanylpropan-2-yl)piperazine?
The IUPAC name of 1-(3,3-dimethylbutyl)-4-(2-methylsulfanylpropan-2-yl)piperazine (CID 129258640) is 1-(3,3-dimethylbutyl)-4-(2-methylsulfanylpropan-2-yl)piperazine.
What is the SMILES notation for 1-(3,3-dimethylbutyl)-4-(2-methylsulfanylpropan-2-yl)piperazine?
The canonical SMILES for 1-(3,3-dimethylbutyl)-4-(2-methylsulfanylpropan-2-yl)piperazine is CSC(C)(C)N1CCN(CCC(C)(C)C)CC1.
What is the InChIKey of 1-(3,3-dimethylbutyl)-4-(2-methylsulfanylpropan-2-yl)piperazine?
The InChIKey is OIHZRWFTIMAHBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2S/c1-13(2,3)7-8-15-9-11-16(12-10-15)14(4,5)17-6/h7-12H2,1-6H3.
What are the key properties of 1-(3,3-dimethylbutyl)-4-(2-methylsulfanylpropan-2-yl)piperazine?
1-(3,3-dimethylbutyl)-4-(2-methylsulfanylpropan-2-yl)piperazine has a molecular weight of 258.47 g/mol, XLogP of 3.14, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-dimethylbutyl)-4-(2-methylsulfanylpropan-2-yl)piperazine is sourced from PubChem (CID 129258640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).