2,2,5-trimethyl-1-pentylpiperazine

C12H26N2 — CID 64845904

IUPAC2,2,5-trimethyl-1-pentylpiperazine
SMILESCCCCCN1CC(C)NCC1(C)C
InChIInChI=1S/C12H26N2/c1-5-6-7-8-14-9-11(2)13-10-12(14,3)4/h11,13H,5-10H2,1-4H3
InChIKeyYRCRSCDARJZQHY-UHFFFAOYSA-N
MW198.35 g/mol
LogP2.25
Rot. Bonds4

About 2,2,5-trimethyl-1-pentylpiperazine

2,2,5-trimethyl-1-pentylpiperazine (PubChem CID 64845904) has the molecular formula C12H26N2 and a molecular weight of 198.35 g/mol. Its IUPAC name is 2,2,5-trimethyl-1-pentylpiperazine.

Molecular Properties

Compound Name2,2,5-trimethyl-1-pentylpiperazine
PubChem CID64845904
Molecular FormulaC12H26N2
Molecular Weight198.35 g/mol
Exact Mass198.21
IUPAC Name2,2,5-trimethyl-1-pentylpiperazine
SMILESCCCCCN1CC(C)NCC1(C)C
InChIInChI=1S/C12H26N2/c1-5-6-7-8-14-9-11(2)13-10-12(14,3)4/h11,13H,5-10H2,1-4H3
InChIKeyYRCRSCDARJZQHY-UHFFFAOYSA-N
XLogP2.25
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.35
LogP ≤ 52.25
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

5-ethyl-2,2-dimethyl-1-pentylpiperazine
CID 64843523
1-decyl-2,2-dimethyl-5-propan-2-ylpiperazine
CID 64839450
2,2-dimethyl-1-nonyl-5-propan-2-ylpiperazine
CID 64837896
5-cyclohexyl-1-hexyl-2,2-dimethylpiperazine
CID 64861163
1-butyl-2-cyclopropyl-2,5-dimethylpiperazine
CID 64844568
2,5-dimethyl-1-pentyl-2-phenylpiperazine
CID 64845156
2,2,5-trimethyl-1-(4-phenylbutyl)piperazine
CID 114334919
1,2,2,5-tetramethylpiperazine
CID 64846101
1-butyl-5-cyclohexyl-2,2-dimethylpiperazine
CID 64861711
1-decyl-2,2,5,5-tetramethylpiperazine
CID 64839334
1-butyl-4-methylimidazolidine
CID 145156152
5,5-dimethyl-1-pentylpyrrolidine-3-carboxylic acid
CID 117018394

Frequently Asked Questions

What is the IUPAC name of 2,2,5-trimethyl-1-pentylpiperazine?
The IUPAC name of 2,2,5-trimethyl-1-pentylpiperazine (CID 64845904) is 2,2,5-trimethyl-1-pentylpiperazine.
What is the SMILES notation for 2,2,5-trimethyl-1-pentylpiperazine?
The canonical SMILES for 2,2,5-trimethyl-1-pentylpiperazine is CCCCCN1CC(C)NCC1(C)C.
What is the InChIKey of 2,2,5-trimethyl-1-pentylpiperazine?
The InChIKey is YRCRSCDARJZQHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2/c1-5-6-7-8-14-9-11(2)13-10-12(14,3)4/h11,13H,5-10H2,1-4H3.
What are the key properties of 2,2,5-trimethyl-1-pentylpiperazine?
2,2,5-trimethyl-1-pentylpiperazine has a molecular weight of 198.35 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,5-trimethyl-1-pentylpiperazine is sourced from PubChem (CID 64845904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).