1-N-docosylpiperazine-1,2-diamine

C26H56N4 — CID 91098559

IUPAC1-N-docosylpiperazine-1,2-diamine
SMILESCCCCCCCCCCCCCCCCCCCCCCNN1CCNCC1N
InChIInChI=1S/C26H56N4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-29-30-24-23-28-25-26(30)27/h26,28-29H,2-25,27H2,1H3
InChIKeyABZAXNBNXKTURV-UHFFFAOYSA-N
MW424.76 g/mol
LogP6.50
Rot. Bonds22

About 1-N-docosylpiperazine-1,2-diamine

1-N-docosylpiperazine-1,2-diamine (PubChem CID 91098559) has the molecular formula C26H56N4 and a molecular weight of 424.76 g/mol. Its IUPAC name is 1-N-docosylpiperazine-1,2-diamine.

Molecular Properties

Compound Name1-N-docosylpiperazine-1,2-diamine
PubChem CID91098559
Molecular FormulaC26H56N4
Molecular Weight424.76 g/mol
Exact Mass424.45
IUPAC Name1-N-docosylpiperazine-1,2-diamine
SMILESCCCCCCCCCCCCCCCCCCCCCCNN1CCNCC1N
InChIInChI=1S/C26H56N4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-29-30-24-23-28-25-26(30)27/h26,28-29H,2-25,27H2,1H3
InChIKeyABZAXNBNXKTURV-UHFFFAOYSA-N
XLogP6.50
TPSA53.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds22
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.76
LogP ≤ 56.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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CID 11690308
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N-octadecylaziridin-1-amine
CID 56627527
N-hexyl-2,2,6,6-tetramethyl-4-piperazin-1-ylpiperidin-1-amine
CID 175318158
1-ethylpiperazin-2-amine;hydrazine
CID 121344900
N-icosylpyrrolidin-1-amine
CID 23212585
N-(3-piperazin-1-ylpropyl)hexan-1-amine
CID 135182222
N-(2-piperazin-1-ylethyl)octan-1-amine
CID 115568684
N-(2-piperazin-1-ylethyl)tetradecan-1-amine
CID 22706682
N-pentyl-6-piperazin-1-ylhexan-1-amine
CID 54403619
(2R)-1-dodecyl-2-methylpiperazine
CID 82761023

Frequently Asked Questions

What is the IUPAC name of 1-N-docosylpiperazine-1,2-diamine?
The IUPAC name of 1-N-docosylpiperazine-1,2-diamine (CID 91098559) is 1-N-docosylpiperazine-1,2-diamine.
What is the SMILES notation for 1-N-docosylpiperazine-1,2-diamine?
The canonical SMILES for 1-N-docosylpiperazine-1,2-diamine is CCCCCCCCCCCCCCCCCCCCCCNN1CCNCC1N.
What is the InChIKey of 1-N-docosylpiperazine-1,2-diamine?
The InChIKey is ABZAXNBNXKTURV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H56N4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-29-30-24-23-28-25-26(30)27/h26,28-29H,2-25,27H2,1H3.
What are the key properties of 1-N-docosylpiperazine-1,2-diamine?
1-N-docosylpiperazine-1,2-diamine has a molecular weight of 424.76 g/mol, XLogP of 6.50, 22 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-docosylpiperazine-1,2-diamine is sourced from PubChem (CID 91098559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).