2,2-dimethyl-1-(2-methylbutyl)-5-propan-2-ylpiperazine

C14H30N2 — CID 64840227

IUPAC2,2-dimethyl-1-(2-methylbutyl)-5-propan-2-ylpiperazine
SMILESCCC(C)CN1CC(C(C)C)NCC1(C)C
InChIInChI=1S/C14H30N2/c1-7-12(4)8-16-9-13(11(2)3)15-10-14(16,5)6/h11-13,15H,7-10H2,1-6H3
InChIKeyUMLXNGGWSPJJNG-UHFFFAOYSA-N
MW226.41 g/mol
LogP2.74
Rot. Bonds4

About 2,2-dimethyl-1-(2-methylbutyl)-5-propan-2-ylpiperazine

2,2-dimethyl-1-(2-methylbutyl)-5-propan-2-ylpiperazine (PubChem CID 64840227) has the molecular formula C14H30N2 and a molecular weight of 226.41 g/mol. Its IUPAC name is 2,2-dimethyl-1-(2-methylbutyl)-5-propan-2-ylpiperazine.

Molecular Properties

Compound Name2,2-dimethyl-1-(2-methylbutyl)-5-propan-2-ylpiperazine
PubChem CID64840227
Molecular FormulaC14H30N2
Molecular Weight226.41 g/mol
Exact Mass226.24
IUPAC Name2,2-dimethyl-1-(2-methylbutyl)-5-propan-2-ylpiperazine
SMILESCCC(C)CN1CC(C(C)C)NCC1(C)C
InChIInChI=1S/C14H30N2/c1-7-12(4)8-16-9-13(11(2)3)15-10-14(16,5)6/h11-13,15H,7-10H2,1-6H3
InChIKeyUMLXNGGWSPJJNG-UHFFFAOYSA-N
XLogP2.74
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.41
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-ethyl-2,2-dimethyl-1-(2-methylbutyl)piperazine
CID 64843133
5-tert-butyl-2,2-dimethyl-1-(2-methylbutyl)piperazine
CID 64842629
1-decyl-2,2-dimethyl-5-propan-2-ylpiperazine
CID 64839450
5-butan-2-yl-1-(2,2-difluoroethyl)-2,2-dimethylpiperazine
CID 64849409
2,2-dimethyl-1-nonyl-5-propan-2-ylpiperazine
CID 64837896
5-butan-2-yl-2-ethyl-2-methyl-1-(2-methylbutyl)piperazine
CID 64848260
5-butan-2-yl-2,2-diethyl-1-(2-methylbutyl)piperazine
CID 64848840
2,2-dimethyl-1-(oxan-2-ylmethyl)-5-propan-2-ylpiperazine
CID 64839838
(5R)-1-benzyl-2,2-dimethyl-5-propan-2-ylpiperazine
CID 129371290
2,2-dimethyl-5-propan-2-yl-1-(4,4,4-trifluorobutyl)piperazine
CID 115518832
2,2-dimethyl-1-(3-methylsulfonylpropyl)-5-propan-2-ylpiperazine
CID 64837894
5-butan-2-yl-1-(2-fluoroethyl)-2,2-dimethylpiperazine
CID 80696297

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-(2-methylbutyl)-5-propan-2-ylpiperazine?
The IUPAC name of 2,2-dimethyl-1-(2-methylbutyl)-5-propan-2-ylpiperazine (CID 64840227) is 2,2-dimethyl-1-(2-methylbutyl)-5-propan-2-ylpiperazine.
What is the SMILES notation for 2,2-dimethyl-1-(2-methylbutyl)-5-propan-2-ylpiperazine?
The canonical SMILES for 2,2-dimethyl-1-(2-methylbutyl)-5-propan-2-ylpiperazine is CCC(C)CN1CC(C(C)C)NCC1(C)C.
What is the InChIKey of 2,2-dimethyl-1-(2-methylbutyl)-5-propan-2-ylpiperazine?
The InChIKey is UMLXNGGWSPJJNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2/c1-7-12(4)8-16-9-13(11(2)3)15-10-14(16,5)6/h11-13,15H,7-10H2,1-6H3.
What are the key properties of 2,2-dimethyl-1-(2-methylbutyl)-5-propan-2-ylpiperazine?
2,2-dimethyl-1-(2-methylbutyl)-5-propan-2-ylpiperazine has a molecular weight of 226.41 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-(2-methylbutyl)-5-propan-2-ylpiperazine is sourced from PubChem (CID 64840227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).