1-(4-cyclopenta-2,4-dien-1-ylbutyl)piperazine

C13H22N2 — CID 138454485

IUPAC1-(4-cyclopenta-2,4-dien-1-ylbutyl)piperazine
SMILESC1=CC(CCCCN2CCNCC2)C=C1
InChIInChI=1S/C13H22N2/c1-2-6-13(5-1)7-3-4-10-15-11-8-14-9-12-15/h1-2,5-6,13-14H,3-4,7-12H2
InChIKeyQYSYGEDOIJKDDE-UHFFFAOYSA-N
MW206.33 g/mol
LogP1.80
Rot. Bonds5

About 1-(4-cyclopenta-2,4-dien-1-ylbutyl)piperazine

1-(4-cyclopenta-2,4-dien-1-ylbutyl)piperazine (PubChem CID 138454485) has the molecular formula C13H22N2 and a molecular weight of 206.33 g/mol. Its IUPAC name is 1-(4-cyclopenta-2,4-dien-1-ylbutyl)piperazine.

Molecular Properties

Compound Name1-(4-cyclopenta-2,4-dien-1-ylbutyl)piperazine
PubChem CID138454485
Molecular FormulaC13H22N2
Molecular Weight206.33 g/mol
Exact Mass206.18
IUPAC Name1-(4-cyclopenta-2,4-dien-1-ylbutyl)piperazine
SMILESC1=CC(CCCCN2CCNCC2)C=C1
InChIInChI=1S/C13H22N2/c1-2-6-13(5-1)7-3-4-10-15-11-8-14-9-12-15/h1-2,5-6,13-14H,3-4,7-12H2
InChIKeyQYSYGEDOIJKDDE-UHFFFAOYSA-N
XLogP1.80
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 51.80
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

1-(3-cyclopenta-2,4-dien-1-ylpropyl)piperidine
CID 101011722
1-[4-(oxan-4-yl)butyl]piperazine
CID 116928640
1-[6-(3-methoxycyclobutyl)hexyl]piperazine
CID 167217556
1-tricosylpiperazine
CID 130183651
4-piperazin-1-ylbutan-1-amine;dihydrochloride
CID 139993876
ethane;1-octylpiperazine
CID 144711845
5-piperazin-1-ylpentan-1-amine;hydrochloride
CID 86346240
1-[8-(8-piperazin-1-yloctyldisulfanyl)octyl]piperazine
CID 10695223
3-piperazin-1-ylpropan-1-ol;dihydrochloride
CID 22460998
1-(3-pyrrolidin-2-ylpropyl)piperazine
CID 62480123
diazanium;1-docosylpiperazine;dibromide
CID 157305429
1-[3-(3-methylazetidin-1-yl)propyl]piperazine
CID 79677275

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclopenta-2,4-dien-1-ylbutyl)piperazine?
The IUPAC name of 1-(4-cyclopenta-2,4-dien-1-ylbutyl)piperazine (CID 138454485) is 1-(4-cyclopenta-2,4-dien-1-ylbutyl)piperazine.
What is the SMILES notation for 1-(4-cyclopenta-2,4-dien-1-ylbutyl)piperazine?
The canonical SMILES for 1-(4-cyclopenta-2,4-dien-1-ylbutyl)piperazine is C1=CC(CCCCN2CCNCC2)C=C1.
What is the InChIKey of 1-(4-cyclopenta-2,4-dien-1-ylbutyl)piperazine?
The InChIKey is QYSYGEDOIJKDDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2/c1-2-6-13(5-1)7-3-4-10-15-11-8-14-9-12-15/h1-2,5-6,13-14H,3-4,7-12H2.
What are the key properties of 1-(4-cyclopenta-2,4-dien-1-ylbutyl)piperazine?
1-(4-cyclopenta-2,4-dien-1-ylbutyl)piperazine has a molecular weight of 206.33 g/mol, XLogP of 1.80, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclopenta-2,4-dien-1-ylbutyl)piperazine is sourced from PubChem (CID 138454485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).