2-tert-butyl-5-methyl-1-pentylpiperazine

C14H30N2 — CID 64844984

IUPAC2-tert-butyl-5-methyl-1-pentylpiperazine
SMILESCCCCCN1CC(C)NCC1C(C)(C)C
InChIInChI=1S/C14H30N2/c1-6-7-8-9-16-11-12(2)15-10-13(16)14(3,4)5/h12-13,15H,6-11H2,1-5H3
InChIKeyMYGSMKPUSMASML-UHFFFAOYSA-N
MW226.41 g/mol
LogP2.88
Rot. Bonds4

About 2-tert-butyl-5-methyl-1-pentylpiperazine

2-tert-butyl-5-methyl-1-pentylpiperazine (PubChem CID 64844984) has the molecular formula C14H30N2 and a molecular weight of 226.41 g/mol. Its IUPAC name is 2-tert-butyl-5-methyl-1-pentylpiperazine.

Molecular Properties

Compound Name2-tert-butyl-5-methyl-1-pentylpiperazine
PubChem CID64844984
Molecular FormulaC14H30N2
Molecular Weight226.41 g/mol
Exact Mass226.24
IUPAC Name2-tert-butyl-5-methyl-1-pentylpiperazine
SMILESCCCCCN1CC(C)NCC1C(C)(C)C
InChIInChI=1S/C14H30N2/c1-6-7-8-9-16-11-12(2)15-10-13(16)14(3,4)5/h12-13,15H,6-11H2,1-5H3
InChIKeyMYGSMKPUSMASML-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-tert-butyl-1-(3,3-dimethylbutyl)-5-methylpiperazine
CID 64845180
2-tert-butyl-1-[3-(2-methoxyethoxy)propyl]-5-methylpiperazine
CID 103414098
1-dodecyl-2,5-dimethylpiperazine
CID 3030143
2-tert-butyl-5-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine
CID 112592038
2-tert-butyl-5-methyl-1-(3,3,3-trifluoropropyl)piperazine
CID 64845759
1-butyl-2-tert-butyl-5-cyclopropylpiperazine
CID 64861474
2-tert-butyl-5-methyl-1-[3-(oxolan-2-yl)propyl]piperazine
CID 65170275
2-tert-butyl-5-methyl-1-(2-methylpropyl)piperazine
CID 64844981
1-butyl-2-tert-butyl-5-cyclohexylpiperazine
CID 64859625
2-cyclohexyl-5-methyl-1-pentylpiperazine
CID 64844371
3,7-dimethyl-1-octyl-1,4-diazepane
CID 64870958
5-tert-butyl-1-heptyl-2-methylpiperazine
CID 64841619

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-5-methyl-1-pentylpiperazine?
The IUPAC name of 2-tert-butyl-5-methyl-1-pentylpiperazine (CID 64844984) is 2-tert-butyl-5-methyl-1-pentylpiperazine.
What is the SMILES notation for 2-tert-butyl-5-methyl-1-pentylpiperazine?
The canonical SMILES for 2-tert-butyl-5-methyl-1-pentylpiperazine is CCCCCN1CC(C)NCC1C(C)(C)C.
What is the InChIKey of 2-tert-butyl-5-methyl-1-pentylpiperazine?
The InChIKey is MYGSMKPUSMASML-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2/c1-6-7-8-9-16-11-12(2)15-10-13(16)14(3,4)5/h12-13,15H,6-11H2,1-5H3.
What are the key properties of 2-tert-butyl-5-methyl-1-pentylpiperazine?
2-tert-butyl-5-methyl-1-pentylpiperazine 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 2-tert-butyl-5-methyl-1-pentylpiperazine is sourced from PubChem (CID 64844984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).