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

C17H28N2 — CID 114334919

IUPAC2,2,5-trimethyl-1-(4-phenylbutyl)piperazine
SMILESCC1CN(CCCCc2ccccc2)C(C)(C)CN1
InChIInChI=1S/C17H28N2/c1-15-13-19(17(2,3)14-18-15)12-8-7-11-16-9-5-4-6-10-16/h4-6,9-10,15,18H,7-8,11-14H2,1-3H3
InChIKeyKMCNIMAPVYTIOK-UHFFFAOYSA-N
MW260.42 g/mol
LogP3.08
Rot. Bonds5

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

2,2,5-trimethyl-1-(4-phenylbutyl)piperazine (PubChem CID 114334919) has the molecular formula C17H28N2 and a molecular weight of 260.42 g/mol. Its IUPAC name is 2,2,5-trimethyl-1-(4-phenylbutyl)piperazine.

Molecular Properties

Compound Name2,2,5-trimethyl-1-(4-phenylbutyl)piperazine
PubChem CID114334919
Molecular FormulaC17H28N2
Molecular Weight260.42 g/mol
Exact Mass260.23
IUPAC Name2,2,5-trimethyl-1-(4-phenylbutyl)piperazine
SMILESCC1CN(CCCCc2ccccc2)C(C)(C)CN1
InChIInChI=1S/C17H28N2/c1-15-13-19(17(2,3)14-18-15)12-8-7-11-16-9-5-4-6-10-16/h4-6,9-10,15,18H,7-8,11-14H2,1-3H3
InChIKeyKMCNIMAPVYTIOK-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

(5S)-1-benzyl-2,2,5-trimethylpiperazine
CID 94985399
(5R)-1-benzyl-2,2,5-trimethylpiperazine
CID 94985398
5-butan-2-yl-2,2-dimethyl-1-(3-phenylpropyl)piperazine
CID 64849218
2-cyclopropyl-2,5-dimethyl-1-(2-phenylethyl)piperazine
CID 64844387
2,2,5-trimethyl-1-pentylpiperazine
CID 64845904
2,2,5-trimethyl-1-(2-phenoxyethyl)piperazine
CID 64844519
2,5-dimethyl-1-pentyl-2-phenylpiperazine
CID 64845156
5-benzyl-1-(2-fluoroethyl)-2,2-dimethylpiperazine
CID 80697002
2-cyclopropyl-5-methyl-1-(4-phenylbutyl)piperazine
CID 114334917
5-methyl-1-(4-phenylbutyl)-2-propylpiperazine
CID 114334915
1-(4-methoxybutyl)-2,5-dimethyl-2-phenylpiperazine
CID 104650161
1-(3-fluoropropyl)-2,5-dimethyl-2-phenylpiperazine
CID 81113703

Frequently Asked Questions

What is the IUPAC name of 2,2,5-trimethyl-1-(4-phenylbutyl)piperazine?
The IUPAC name of 2,2,5-trimethyl-1-(4-phenylbutyl)piperazine (CID 114334919) is 2,2,5-trimethyl-1-(4-phenylbutyl)piperazine.
What is the SMILES notation for 2,2,5-trimethyl-1-(4-phenylbutyl)piperazine?
The canonical SMILES for 2,2,5-trimethyl-1-(4-phenylbutyl)piperazine is CC1CN(CCCCc2ccccc2)C(C)(C)CN1.
What is the InChIKey of 2,2,5-trimethyl-1-(4-phenylbutyl)piperazine?
The InChIKey is KMCNIMAPVYTIOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-15-13-19(17(2,3)14-18-15)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 2,2,5-trimethyl-1-(4-phenylbutyl)piperazine?
2,2,5-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 2,2,5-trimethyl-1-(4-phenylbutyl)piperazine is sourced from PubChem (CID 114334919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).