(1S)-1-(2-piperazin-1-ylphenyl)ethane-1,2-diamine

C12H20N4 — CID 66517777

IUPAC(1S)-1-(2-piperazin-1-ylphenyl)ethane-1,2-diamine
SMILESNC[C@@H](N)c1ccccc1N1CCNCC1
InChIInChI=1S/C12H20N4/c13-9-11(14)10-3-1-2-4-12(10)16-7-5-15-6-8-16/h1-4,11,15H,5-9,13-14H2/t11-/m1/s1
InChIKeyIIRJRQWCBVTNNQ-LLVKDONJSA-N
MW220.32 g/mol
LogP0.05
Rot. Bonds3

About (1S)-1-(2-piperazin-1-ylphenyl)ethane-1,2-diamine

(1S)-1-(2-piperazin-1-ylphenyl)ethane-1,2-diamine (PubChem CID 66517777) has the molecular formula C12H20N4 and a molecular weight of 220.32 g/mol. Its IUPAC name is (1S)-1-(2-piperazin-1-ylphenyl)ethane-1,2-diamine.

Molecular Properties

Compound Name(1S)-1-(2-piperazin-1-ylphenyl)ethane-1,2-diamine
PubChem CID66517777
Molecular FormulaC12H20N4
Molecular Weight220.32 g/mol
Exact Mass220.17
IUPAC Name(1S)-1-(2-piperazin-1-ylphenyl)ethane-1,2-diamine
SMILESNC[C@@H](N)c1ccccc1N1CCNCC1
InChIInChI=1S/C12H20N4/c13-9-11(14)10-3-1-2-4-12(10)16-7-5-15-6-8-16/h1-4,11,15H,5-9,13-14H2/t11-/m1/s1
InChIKeyIIRJRQWCBVTNNQ-LLVKDONJSA-N
XLogP0.05
TPSA67.31 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 50.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-(2-piperazin-1-ylphenyl)ethane-1,2-diamine?
The IUPAC name of (1S)-1-(2-piperazin-1-ylphenyl)ethane-1,2-diamine (CID 66517777) is (1S)-1-(2-piperazin-1-ylphenyl)ethane-1,2-diamine.
What is the SMILES notation for (1S)-1-(2-piperazin-1-ylphenyl)ethane-1,2-diamine?
The canonical SMILES for (1S)-1-(2-piperazin-1-ylphenyl)ethane-1,2-diamine is NC[C@@H](N)c1ccccc1N1CCNCC1.
What is the InChIKey of (1S)-1-(2-piperazin-1-ylphenyl)ethane-1,2-diamine?
The InChIKey is IIRJRQWCBVTNNQ-LLVKDONJSA-N. The full InChI is InChI=1S/C12H20N4/c13-9-11(14)10-3-1-2-4-12(10)16-7-5-15-6-8-16/h1-4,11,15H,5-9,13-14H2/t11-/m1/s1.
What are the key properties of (1S)-1-(2-piperazin-1-ylphenyl)ethane-1,2-diamine?
(1S)-1-(2-piperazin-1-ylphenyl)ethane-1,2-diamine has a molecular weight of 220.32 g/mol, XLogP of 0.05, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(2-piperazin-1-ylphenyl)ethane-1,2-diamine is sourced from PubChem (CID 66517777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).