2-tert-butyl-1-(3,3-dimethylbutyl)-5-(2-methylpropyl)piperazine

C18H38N2 — CID 64850100

IUPAC2-tert-butyl-1-(3,3-dimethylbutyl)-5-(2-methylpropyl)piperazine
SMILESCC(C)CC1CN(CCC(C)(C)C)C(C(C)(C)C)CN1
InChIInChI=1S/C18H38N2/c1-14(2)11-15-13-20(10-9-17(3,4)5)16(12-19-15)18(6,7)8/h14-16,19H,9-13H2,1-8H3
InChIKeySFKVGZABGHOSBY-UHFFFAOYSA-N
MW282.52 g/mol
LogP4.16
Rot. Bonds4

About 2-tert-butyl-1-(3,3-dimethylbutyl)-5-(2-methylpropyl)piperazine

2-tert-butyl-1-(3,3-dimethylbutyl)-5-(2-methylpropyl)piperazine (PubChem CID 64850100) has the molecular formula C18H38N2 and a molecular weight of 282.52 g/mol. Its IUPAC name is 2-tert-butyl-1-(3,3-dimethylbutyl)-5-(2-methylpropyl)piperazine.

Molecular Properties

Compound Name2-tert-butyl-1-(3,3-dimethylbutyl)-5-(2-methylpropyl)piperazine
PubChem CID64850100
Molecular FormulaC18H38N2
Molecular Weight282.52 g/mol
Exact Mass282.30
IUPAC Name2-tert-butyl-1-(3,3-dimethylbutyl)-5-(2-methylpropyl)piperazine
SMILESCC(C)CC1CN(CCC(C)(C)C)C(C(C)(C)C)CN1
InChIInChI=1S/C18H38N2/c1-14(2)11-15-13-20(10-9-17(3,4)5)16(12-19-15)18(6,7)8/h14-16,19H,9-13H2,1-8H3
InChIKeySFKVGZABGHOSBY-UHFFFAOYSA-N
XLogP4.16
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.52
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-tert-butyl-5-(2-methylpropyl)-1-propylpiperazine
CID 64849135
1-(3,3-dimethylbutyl)-2,5-bis(2-methylpropyl)piperazine
CID 64848550
2-cyclopropyl-1-(3,3-dimethylbutyl)-5-(2-methylpropyl)piperazine
CID 64849713
2-tert-butyl-1-(3-ethoxypropyl)-5-(2-methylpropyl)piperazine
CID 65178297
2-tert-butyl-1-(3,3-dimethylbutyl)-5-methylpiperazine
CID 64845180
2-tert-butyl-1-(4-methylpentyl)-5-propylpiperazine
CID 83169601
2-tert-butyl-1-(2-methylpropyl)-5-propylpiperazine
CID 64839180
1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-5-(2-methylpropyl)-2-propan-2-ylpiperazine
CID 115943612
2-tert-butyl-1-(2-propan-2-yloxyethyl)-5-propylpiperazine
CID 64838014
1-(3,3-dimethylbutyl)-2-propan-2-yl-5-propylpiperazine
CID 64838194
1-(2-tert-butylsulfonylethyl)-2-ethyl-5-(2-methylpropyl)piperazine
CID 106733055
5-butan-2-yl-2-tert-butyl-1-(3,3,3-trifluoropropyl)piperazine
CID 64847087

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-1-(3,3-dimethylbutyl)-5-(2-methylpropyl)piperazine?
The IUPAC name of 2-tert-butyl-1-(3,3-dimethylbutyl)-5-(2-methylpropyl)piperazine (CID 64850100) is 2-tert-butyl-1-(3,3-dimethylbutyl)-5-(2-methylpropyl)piperazine.
What is the SMILES notation for 2-tert-butyl-1-(3,3-dimethylbutyl)-5-(2-methylpropyl)piperazine?
The canonical SMILES for 2-tert-butyl-1-(3,3-dimethylbutyl)-5-(2-methylpropyl)piperazine is CC(C)CC1CN(CCC(C)(C)C)C(C(C)(C)C)CN1.
What is the InChIKey of 2-tert-butyl-1-(3,3-dimethylbutyl)-5-(2-methylpropyl)piperazine?
The InChIKey is SFKVGZABGHOSBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38N2/c1-14(2)11-15-13-20(10-9-17(3,4)5)16(12-19-15)18(6,7)8/h14-16,19H,9-13H2,1-8H3.
What are the key properties of 2-tert-butyl-1-(3,3-dimethylbutyl)-5-(2-methylpropyl)piperazine?
2-tert-butyl-1-(3,3-dimethylbutyl)-5-(2-methylpropyl)piperazine has a molecular weight of 282.52 g/mol, XLogP of 4.16, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-1-(3,3-dimethylbutyl)-5-(2-methylpropyl)piperazine is sourced from PubChem (CID 64850100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).