2,5,5-trimethyl-1-(4-phenylbutyl)piperazine

C17H28N2 — CID 114334930

IUPAC2,5,5-trimethyl-1-(4-phenylbutyl)piperazine
SMILESCC1CNC(C)(C)CN1CCCCc1ccccc1
InChIInChI=1S/C17H28N2/c1-15-13-18-17(2,3)14-19(15)12-8-7-11-16-9-5-4-6-10-16/h4-6,9-10,15,18H,7-8,11-14H2,1-3H3
InChIKeyYBXLXBQENLKMOO-UHFFFAOYSA-N
MW260.42 g/mol
LogP3.08
Rot. Bonds5

About 2,5,5-trimethyl-1-(4-phenylbutyl)piperazine

2,5,5-trimethyl-1-(4-phenylbutyl)piperazine (PubChem CID 114334930) has the molecular formula C17H28N2 and a molecular weight of 260.42 g/mol. Its IUPAC name is 2,5,5-trimethyl-1-(4-phenylbutyl)piperazine.

Molecular Properties

Compound Name2,5,5-trimethyl-1-(4-phenylbutyl)piperazine
PubChem CID114334930
Molecular FormulaC17H28N2
Molecular Weight260.42 g/mol
Exact Mass260.23
IUPAC Name2,5,5-trimethyl-1-(4-phenylbutyl)piperazine
SMILESCC1CNC(C)(C)CN1CCCCc1ccccc1
InChIInChI=1S/C17H28N2/c1-15-13-18-17(2,3)14-19(15)12-8-7-11-16-9-5-4-6-10-16/h4-6,9-10,15,18H,7-8,11-14H2,1-3H3
InChIKeyYBXLXBQENLKMOO-UHFFFAOYSA-N
XLogP3.08
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.42
LogP ≤ 53.08
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-cyclopropyl-2,5-dimethyl-1-(4-phenylbutyl)piperazine
CID 114334950
3,3,7-trimethyl-1-(3-phenylpropyl)-1,4-diazepane
CID 64870396
5,5-diethyl-2-methyl-1-(3-phenylpropyl)piperazine
CID 64861186
2,5,5-trimethyl-1-(6-methylsulfanylhexyl)piperazine
CID 114124990
1-[2-(2,5,5-trimethylpiperazin-1-yl)ethyl]pyridin-2-one
CID 82908045
2,5,5-trimethyl-1-pent-4-ynylpiperazine
CID 106221984
1-[(4-iodophenyl)methyl]-2,5,5-trimethylpiperazine
CID 65491363
2,2,5-trimethyl-1-(4-phenylbutyl)piperazine
CID 114334919
1-(3-ethoxypropyl)-2,5,5-trimethylpiperazine
CID 64931860
1-hex-5-ynyl-2,5-dimethyl-5-phenylpiperazine
CID 106211786
3-ethyl-3,7-dimethyl-1-(2-phenylethyl)-1,4-diazepane
CID 64871055
1-benzyl-2-tert-butyl-5,5-dimethylpiperazine
CID 64839732

Frequently Asked Questions

What is the IUPAC name of 2,5,5-trimethyl-1-(4-phenylbutyl)piperazine?
The IUPAC name of 2,5,5-trimethyl-1-(4-phenylbutyl)piperazine (CID 114334930) is 2,5,5-trimethyl-1-(4-phenylbutyl)piperazine.
What is the SMILES notation for 2,5,5-trimethyl-1-(4-phenylbutyl)piperazine?
The canonical SMILES for 2,5,5-trimethyl-1-(4-phenylbutyl)piperazine is CC1CNC(C)(C)CN1CCCCc1ccccc1.
What is the InChIKey of 2,5,5-trimethyl-1-(4-phenylbutyl)piperazine?
The InChIKey is YBXLXBQENLKMOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-15-13-18-17(2,3)14-19(15)12-8-7-11-16-9-5-4-6-10-16/h4-6,9-10,15,18H,7-8,11-14H2,1-3H3.
What are the key properties of 2,5,5-trimethyl-1-(4-phenylbutyl)piperazine?
2,5,5-trimethyl-1-(4-phenylbutyl)piperazine has a molecular weight of 260.42 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5,5-trimethyl-1-(4-phenylbutyl)piperazine is sourced from PubChem (CID 114334930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).