1-pentylpiperazine;toluene

C16H28N2 — CID 68982278

IUPAC1-pentylpiperazine;toluene
SMILESCCCCCN1CCNCC1.Cc1ccccc1
InChIInChI=1S/C9H20N2.C7H8/c1-2-3-4-7-11-8-5-10-6-9-11;1-7-5-3-2-4-6-7/h10H,2-9H2,1H3;2-6H,1H3
InChIKeyBXFPZPJOOOJBAO-UHFFFAOYSA-N
MW248.41 g/mol
LogP3.08
Rot. Bonds4

About 1-pentylpiperazine;toluene

1-pentylpiperazine;toluene (PubChem CID 68982278) has the molecular formula C16H28N2 and a molecular weight of 248.41 g/mol. Its IUPAC name is 1-pentylpiperazine;toluene.

Molecular Properties

Compound Name1-pentylpiperazine;toluene
PubChem CID68982278
Molecular FormulaC16H28N2
Molecular Weight248.41 g/mol
Exact Mass248.23
IUPAC Name1-pentylpiperazine;toluene
SMILESCCCCCN1CCNCC1.Cc1ccccc1
InChIInChI=1S/C9H20N2.C7H8/c1-2-3-4-7-11-8-5-10-6-9-11;1-7-5-3-2-4-6-7/h10H,2-9H2,1H3;2-6H,1H3
InChIKeyBXFPZPJOOOJBAO-UHFFFAOYSA-N
XLogP3.08
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.41
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-pentylpiperazine;toluene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2H-benzotriazole;1-pentylpiperazine
CID 174694727
1-tricosylpiperazine
CID 130183651
ethane;1-octylpiperazine
CID 144711845
diazanium;1-docosylpiperazine;dibromide
CID 157305429
N-ethyl-N-(4-piperazin-1-ylbutyl)aniline
CID 28808292
N-phenyl-3-piperazin-1-yl-N-tetradecoxypropanamide
CID 151564182
1-(8-phenyloctyl)-1,4,7,10-tetrazacyclododecane
CID 137439180
1-pentylpiperazine;quinazolin-2-amine
CID 175024376
benzene;heptane;hexane;toluene
CID 160959480
bis(heptane);toluene
CID 157306102
1-hexylpyrrolidine;2-methylbenzene-1,3-dicarboxylic acid;pyrrolidine
CID 174695142
1-heptyl-1,4,8,11-tetrazacyclotetradecane
CID 101356970

Frequently Asked Questions

What is the IUPAC name of 1-pentylpiperazine;toluene?
The IUPAC name of 1-pentylpiperazine;toluene (CID 68982278) is 1-pentylpiperazine;toluene.
What is the SMILES notation for 1-pentylpiperazine;toluene?
The canonical SMILES for 1-pentylpiperazine;toluene is CCCCCN1CCNCC1.Cc1ccccc1.
What is the InChIKey of 1-pentylpiperazine;toluene?
The InChIKey is BXFPZPJOOOJBAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2.C7H8/c1-2-3-4-7-11-8-5-10-6-9-11;1-7-5-3-2-4-6-7/h10H,2-9H2,1H3;2-6H,1H3.
What are the key properties of 1-pentylpiperazine;toluene?
1-pentylpiperazine;toluene has a molecular weight of 248.41 g/mol, XLogP of 3.08, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pentylpiperazine;toluene is sourced from PubChem (CID 68982278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).