1-butan-2-yl-2,2-dimethyl-5-(2-methylpropyl)piperazine

C14H30N2 — CID 79445054

IUPAC1-butan-2-yl-2,2-dimethyl-5-(2-methylpropyl)piperazine
SMILESCCC(C)N1CC(CC(C)C)NCC1(C)C
InChIInChI=1S/C14H30N2/c1-7-12(4)16-9-13(8-11(2)3)15-10-14(16,5)6/h11-13,15H,7-10H2,1-6H3
InChIKeyPGNYNHNNEQORLA-UHFFFAOYSA-N
MW226.41 g/mol
LogP2.88
Rot. Bonds4

About 1-butan-2-yl-2,2-dimethyl-5-(2-methylpropyl)piperazine

1-butan-2-yl-2,2-dimethyl-5-(2-methylpropyl)piperazine (PubChem CID 79445054) has the molecular formula C14H30N2 and a molecular weight of 226.41 g/mol. Its IUPAC name is 1-butan-2-yl-2,2-dimethyl-5-(2-methylpropyl)piperazine.

Molecular Properties

Compound Name1-butan-2-yl-2,2-dimethyl-5-(2-methylpropyl)piperazine
PubChem CID79445054
Molecular FormulaC14H30N2
Molecular Weight226.41 g/mol
Exact Mass226.24
IUPAC Name1-butan-2-yl-2,2-dimethyl-5-(2-methylpropyl)piperazine
SMILESCCC(C)N1CC(CC(C)C)NCC1(C)C
InChIInChI=1S/C14H30N2/c1-7-12(4)16-9-13(8-11(2)3)15-10-14(16,5)6/h11-13,15H,7-10H2,1-6H3
InChIKeyPGNYNHNNEQORLA-UHFFFAOYSA-N
XLogP2.88
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 ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-butan-2-yl-8-(2-methylpropyl)-6,9-diazaspiro[4.5]decane
CID 79445456
1-butan-2-yl-2,2,5-trimethylpiperazine
CID 79001867
2,2-dimethyl-1-(2-methylpentyl)-5-(2-methylpropyl)piperazine
CID 64849914
1-(2-ethylsulfanylethyl)-2,2-dimethyl-5-(2-methylpropyl)piperazine
CID 113474537
1-cyclohexyl-2,2-dimethyl-5-(2-methylpropyl)piperazine
CID 82936775
2,2-dimethyl-5-(2-methylpropyl)-1-(2-methylsulfonylethyl)piperazine
CID 64847410
2-ethyl-1-(2-fluoroethyl)-2-methyl-5-(2-methylpropyl)piperazine
CID 80697725
6-butan-2-yl-8-propyl-6,9-diazaspiro[4.5]decane
CID 79444829
1-[(1-ethylpyrazol-4-yl)methyl]-2,2-dimethyl-5-(2-methylpropyl)piperazine
CID 64848565
1-butan-2-yl-2,2-dimethylpiperazine
CID 64981259
2,2-dimethyl-1-(2-methylpropyl)-5-propylpiperazine
CID 64838610
5-ethyl-2,2-dimethyl-1-(2-methylbutyl)piperazine
CID 64843133

Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-2,2-dimethyl-5-(2-methylpropyl)piperazine?
The IUPAC name of 1-butan-2-yl-2,2-dimethyl-5-(2-methylpropyl)piperazine (CID 79445054) is 1-butan-2-yl-2,2-dimethyl-5-(2-methylpropyl)piperazine.
What is the SMILES notation for 1-butan-2-yl-2,2-dimethyl-5-(2-methylpropyl)piperazine?
The canonical SMILES for 1-butan-2-yl-2,2-dimethyl-5-(2-methylpropyl)piperazine is CCC(C)N1CC(CC(C)C)NCC1(C)C.
What is the InChIKey of 1-butan-2-yl-2,2-dimethyl-5-(2-methylpropyl)piperazine?
The InChIKey is PGNYNHNNEQORLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2/c1-7-12(4)16-9-13(8-11(2)3)15-10-14(16,5)6/h11-13,15H,7-10H2,1-6H3.
What are the key properties of 1-butan-2-yl-2,2-dimethyl-5-(2-methylpropyl)piperazine?
1-butan-2-yl-2,2-dimethyl-5-(2-methylpropyl)piperazine has a molecular weight of 226.41 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yl-2,2-dimethyl-5-(2-methylpropyl)piperazine is sourced from PubChem (CID 79445054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).