1-butyl-4-[2-(3,3,4,4-tetramethylcyclopentyl)phenyl]piperazine

C23H38N2 — CID 11198672

IUPAC1-butyl-4-[2-(3,3,4,4-tetramethylcyclopentyl)phenyl]piperazine
SMILESCCCCN1CCN(c2ccccc2C2CC(C)(C)C(C)(C)C2)CC1
InChIInChI=1S/C23H38N2/c1-6-7-12-24-13-15-25(16-14-24)21-11-9-8-10-20(21)19-17-22(2,3)23(4,5)18-19/h8-11,19H,6-7,12-18H2,1-5H3
InChIKeyQWIMDAGMZAEYEM-UHFFFAOYSA-N
MW342.57 g/mol
LogP5.54
Rot. Bonds5

About 1-butyl-4-[2-(3,3,4,4-tetramethylcyclopentyl)phenyl]piperazine

1-butyl-4-[2-(3,3,4,4-tetramethylcyclopentyl)phenyl]piperazine (PubChem CID 11198672) has the molecular formula C23H38N2 and a molecular weight of 342.57 g/mol. Its IUPAC name is 1-butyl-4-[2-(3,3,4,4-tetramethylcyclopentyl)phenyl]piperazine.

Molecular Properties

Compound Name1-butyl-4-[2-(3,3,4,4-tetramethylcyclopentyl)phenyl]piperazine
PubChem CID11198672
Molecular FormulaC23H38N2
Molecular Weight342.57 g/mol
Exact Mass342.30
IUPAC Name1-butyl-4-[2-(3,3,4,4-tetramethylcyclopentyl)phenyl]piperazine
SMILESCCCCN1CCN(c2ccccc2C2CC(C)(C)C(C)(C)C2)CC1
InChIInChI=1S/C23H38N2/c1-6-7-12-24-13-15-25(16-14-24)21-11-9-8-10-20(21)19-17-22(2,3)23(4,5)18-19/h8-11,19H,6-7,12-18H2,1-5H3
InChIKeyQWIMDAGMZAEYEM-UHFFFAOYSA-N
XLogP5.54
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.57
LogP ≤ 55.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-pentyl-4-[2-(3,3,5,5-tetramethylcyclohexyl)phenyl]piperazine
CID 23142693
1-pentyl-4-(2-spiro[2.5]octan-6-ylphenyl)piperazine
CID 23142276
1-(2-cyclopentylphenyl)-4-propylpiperazine
CID 23142751
1-butyl-4-[5-fluoro-2-(3,3,5,5-tetramethylcyclohexyl)phenyl]piperazine;hydrochloride
CID 23141599
1-butyl-4-(2,3-dichlorophenyl)piperazine
CID 58358826
4-[4-(4-butylpiperazin-1-yl)-3-(3,3,5,5-tetramethylcyclohexyl)phenyl]morpholine;hydrochloride
CID 23142311
1-[5-methoxy-2-(3,3,5,5-tetramethylcyclohexyl)phenyl]-4-pentylpiperazine;hydrochloride
CID 23141674
1-naphthalen-1-yl-4-pentylpiperazine
CID 20649330
4-[4-[2-(4-tert-butylcyclohexyl)phenyl]piperazin-1-yl]butanoic acid
CID 174516681
1-butyl-4-[6-(3,3,5,5-tetramethylcyclohexyl)-1,3-benzodioxol-5-yl]piperazine
CID 11988824
1-butyl-4-[2-(4,4-dimethylcyclohexyl)-4-pyrrolidin-1-ylphenyl]piperazine
CID 23142252
1-(cyclohexylmethyl)-4-[2-(3,3,5,5-tetramethylcyclohexyl)phenyl]piperazine;hydrochloride
CID 23142968

Frequently Asked Questions

What is the IUPAC name of 1-butyl-4-[2-(3,3,4,4-tetramethylcyclopentyl)phenyl]piperazine?
The IUPAC name of 1-butyl-4-[2-(3,3,4,4-tetramethylcyclopentyl)phenyl]piperazine (CID 11198672) is 1-butyl-4-[2-(3,3,4,4-tetramethylcyclopentyl)phenyl]piperazine.
What is the SMILES notation for 1-butyl-4-[2-(3,3,4,4-tetramethylcyclopentyl)phenyl]piperazine?
The canonical SMILES for 1-butyl-4-[2-(3,3,4,4-tetramethylcyclopentyl)phenyl]piperazine is CCCCN1CCN(c2ccccc2C2CC(C)(C)C(C)(C)C2)CC1.
What is the InChIKey of 1-butyl-4-[2-(3,3,4,4-tetramethylcyclopentyl)phenyl]piperazine?
The InChIKey is QWIMDAGMZAEYEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H38N2/c1-6-7-12-24-13-15-25(16-14-24)21-11-9-8-10-20(21)19-17-22(2,3)23(4,5)18-19/h8-11,19H,6-7,12-18H2,1-5H3.
What are the key properties of 1-butyl-4-[2-(3,3,4,4-tetramethylcyclopentyl)phenyl]piperazine?
1-butyl-4-[2-(3,3,4,4-tetramethylcyclopentyl)phenyl]piperazine has a molecular weight of 342.57 g/mol, XLogP of 5.54, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-4-[2-(3,3,4,4-tetramethylcyclopentyl)phenyl]piperazine is sourced from PubChem (CID 11198672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).