1-pentylpiperazine

C9H20N2 — CID 2737112

IUPAC1-pentylpiperazine
SMILESCCCCCN1CCNCC1
InChIInChI=1S/C9H20N2/c1-2-3-4-7-11-8-5-10-6-9-11/h10H,2-9H2,1H3
InChIKeyMJWWNBHUIIRNDZ-UHFFFAOYSA-N
MW156.27 g/mol
LogP1.08
Rot. Bonds4

About 1-pentylpiperazine

1-pentylpiperazine (PubChem CID 2737112) has the molecular formula C9H20N2 and a molecular weight of 156.27 g/mol. Its IUPAC name is 1-pentylpiperazine.

Molecular Properties

Compound Name1-pentylpiperazine
PubChem CID2737112
Molecular FormulaC9H20N2
Molecular Weight156.27 g/mol
Exact Mass156.16
IUPAC Name1-pentylpiperazine
SMILESCCCCCN1CCNCC1
InChIInChI=1S/C9H20N2/c1-2-3-4-7-11-8-5-10-6-9-11/h10H,2-9H2,1H3
InChIKeyMJWWNBHUIIRNDZ-UHFFFAOYSA-N
XLogP1.08
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.27
LogP ≤ 51.08
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

1-Cyclohexylpiperazine
CID 87298
1-Methyl-4-(piperidin-4-yl)piperazine
CID 795707
Methyl(2-(4-methylpiperidin-1-yl)ethyl)amine
CID 43199381
1-(2-(Dimethylamino)ethyl)piperazine
CID 2736229
N-(2-Aminoethyl)piperidine
CID 33944
1-(3-Aminopropyl)-4-methylpiperazine
CID 78328
2-(3,5-Dimethylpiperidin-1-yl)ethan-1-amine
CID 6484177
3-amino-N-ethylpiperidine
CID 98094
1-Decylpiperazine
CID 230544
1-(2-Methylpropyl)piperazine
CID 2052052
1-Octylpiperazine
CID 2737099
Piperazine, 1-dodecyl-
CID 4284268

Frequently Asked Questions

What is the IUPAC name of 1-pentylpiperazine?
The IUPAC name of 1-pentylpiperazine (CID 2737112) is 1-pentylpiperazine.
What is the SMILES notation for 1-pentylpiperazine?
The canonical SMILES for 1-pentylpiperazine is CCCCCN1CCNCC1.
What is the InChIKey of 1-pentylpiperazine?
The InChIKey is MJWWNBHUIIRNDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2/c1-2-3-4-7-11-8-5-10-6-9-11/h10H,2-9H2,1H3.
What are the key properties of 1-pentylpiperazine?
1-pentylpiperazine has a molecular weight of 156.27 g/mol, XLogP of 1.08, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pentylpiperazine is sourced from PubChem (CID 2737112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).