1-pentyl-4-(2-spiro[2.5]octan-6-ylphenyl)piperazine

C23H36N2 — CID 23142276

IUPAC1-pentyl-4-(2-spiro[2.5]octan-6-ylphenyl)piperazine
SMILESCCCCCN1CCN(c2ccccc2C2CCC3(CC2)CC3)CC1
InChIInChI=1S/C23H36N2/c1-2-3-6-15-24-16-18-25(19-17-24)22-8-5-4-7-21(22)20-9-11-23(12-10-20)13-14-23/h4-5,7-8,20H,2-3,6,9-19H2,1H3
InChIKeyPNZFZXSNUVKJLU-UHFFFAOYSA-N
MW340.56 g/mol
LogP5.44
Rot. Bonds6

About 1-pentyl-4-(2-spiro[2.5]octan-6-ylphenyl)piperazine

1-pentyl-4-(2-spiro[2.5]octan-6-ylphenyl)piperazine (PubChem CID 23142276) has the molecular formula C23H36N2 and a molecular weight of 340.56 g/mol. Its IUPAC name is 1-pentyl-4-(2-spiro[2.5]octan-6-ylphenyl)piperazine.

Molecular Properties

Compound Name1-pentyl-4-(2-spiro[2.5]octan-6-ylphenyl)piperazine
PubChem CID23142276
Molecular FormulaC23H36N2
Molecular Weight340.56 g/mol
Exact Mass340.29
IUPAC Name1-pentyl-4-(2-spiro[2.5]octan-6-ylphenyl)piperazine
SMILESCCCCCN1CCN(c2ccccc2C2CCC3(CC2)CC3)CC1
InChIInChI=1S/C23H36N2/c1-2-3-6-15-24-16-18-25(19-17-24)22-8-5-4-7-21(22)20-9-11-23(12-10-20)13-14-23/h4-5,7-8,20H,2-3,6,9-19H2,1H3
InChIKeyPNZFZXSNUVKJLU-UHFFFAOYSA-N
XLogP5.44
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.56
LogP ≤ 55.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-pentyl-4-[2-(3,3,5,5-tetramethylcyclohexyl)phenyl]piperazine
CID 23142693
1-butyl-4-[2-(3,3,4,4-tetramethylcyclopentyl)phenyl]piperazine
CID 11198672
1-(2-cyclopentylphenyl)-4-propylpiperazine
CID 23142751
1-[4-(4-methoxypiperidin-1-yl)-2-spiro[2.5]octan-6-ylphenyl]-4-pentylpiperazine;hydrochloride
CID 23142086
1-butyl-4-[4-(4-methoxypiperidin-1-yl)-2-spiro[2.5]octan-6-ylphenyl]piperazine
CID 23142123
4-[4-(4-butylpiperazin-1-yl)-3-spiro[2.5]octan-6-ylphenyl]-2,6-dimethylmorpholine
CID 69220213
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-[2-(4,4-dimethylcyclohexyl)-4-pyrrolidin-1-ylphenyl]piperazine
CID 23142252
1-butyl-4-[2-(4,4-dimethylcyclohexyl)-4-pyrrolidin-1-ylphenyl]piperazine;hydrochloride
CID 23142251
1-(2,3-dichlorophenyl)-4-hexylpiperazine
CID 155107965
1-(3-chloro-2-methylphenyl)-4-pentylpiperazine
CID 20649335

Frequently Asked Questions

What is the IUPAC name of 1-pentyl-4-(2-spiro[2.5]octan-6-ylphenyl)piperazine?
The IUPAC name of 1-pentyl-4-(2-spiro[2.5]octan-6-ylphenyl)piperazine (CID 23142276) is 1-pentyl-4-(2-spiro[2.5]octan-6-ylphenyl)piperazine.
What is the SMILES notation for 1-pentyl-4-(2-spiro[2.5]octan-6-ylphenyl)piperazine?
The canonical SMILES for 1-pentyl-4-(2-spiro[2.5]octan-6-ylphenyl)piperazine is CCCCCN1CCN(c2ccccc2C2CCC3(CC2)CC3)CC1.
What is the InChIKey of 1-pentyl-4-(2-spiro[2.5]octan-6-ylphenyl)piperazine?
The InChIKey is PNZFZXSNUVKJLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H36N2/c1-2-3-6-15-24-16-18-25(19-17-24)22-8-5-4-7-21(22)20-9-11-23(12-10-20)13-14-23/h4-5,7-8,20H,2-3,6,9-19H2,1H3.
What are the key properties of 1-pentyl-4-(2-spiro[2.5]octan-6-ylphenyl)piperazine?
1-pentyl-4-(2-spiro[2.5]octan-6-ylphenyl)piperazine has a molecular weight of 340.56 g/mol, XLogP of 5.44, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pentyl-4-(2-spiro[2.5]octan-6-ylphenyl)piperazine is sourced from PubChem (CID 23142276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).