piperazin-1-amine;2-piperazin-1-ylethanamine;2-piperazin-1-ylethanol;piperazin-1-ylmethanamine;3-piperazin-1-ylpropan-1-amine;3-piperazin-1-ylpropan-1-ol;piperidin-4-amine;2-piperidin-4-ylethanamine;piperidin-4-ylmethanamine;3-piperidin-4-ylpropan-1-amine

C61H146N24O2 — CID 159978195

IUPACpiperazin-1-amine;2-piperazin-1-ylethanamine;2-piperazin-1-ylethanol;piperazin-1-ylmethanamine;3-piperazin-1-ylpropan-1-amine;3-piperazin-1-ylpropan-1-ol;piperidin-4-amine;2-piperidin-4-ylethanamine;piperidin-4-ylmethanamine;3-piperidin-4-ylpropan-1-amine
SMILESNC1CCNCC1.NCC1CCNCC1.NCCC1CCNCC1.NCCCC1CCNCC1.NCCCN1CCNCC1.NCCN1CCNCC1.NCN1CCNCC1.NN1CCNCC1.OCCCN1CCNCC1.OCCN1CCNCC1
InChIInChI=1S/C8H18N2.C7H17N3.C7H16N2O.C7H16N2.C6H15N3.C6H14N2O.C6H14N2.C5H13N3.C5H12N2.C4H11N3/c9-5-1-2-8-3-6-10-7-4-8;8-2-1-5-10-6-3-9-4-7-10;10-7-1-4-9-5-2-8-3-6-9;8-4-1-7-2-5-9-6-3-7;7-1-4-9-5-2-8-3-6-9;9-6-5-8-3-1-7-2-4-8;7-5-6-1-3-8-4-2-6;6-5-8-3-1-7-2-4-8;6-5-1-3-7-4-2-5;5-7-3-1-6-2-4-7/h8,10H,1-7,9H2;9H,1-8H2;8,10H,1-7H2;7,9H,1-6,8H2;8H,1-7H2;7,9H,1-6H2;6,8H,1-5,7H2;7H,1-6H2;5,7H,1-4,6H2;6H,1-5H2
InChIKeyOFKRYBIFZRSUOX-UHFFFAOYSA-N
MW1248.00 g/mol
LogP-5.48
Rot. Bonds17

About piperazin-1-amine;2-piperazin-1-ylethanamine;2-piperazin-1-ylethanol;piperazin-1-ylmethanamine;3-piperazin-1-ylpropan-1-amine;3-piperazin-1-ylpropan-1-ol;piperidin-4-amine;2-piperidin-4-ylethanamine;piperidin-4-ylmethanamine;3-piperidin-4-ylpropan-1-amine

piperazin-1-amine;2-piperazin-1-ylethanamine;2-piperazin-1-ylethanol;piperazin-1-ylmethanamine;3-piperazin-1-ylpropan-1-amine;3-piperazin-1-ylpropan-1-ol;piperidin-4-amine;2-piperidin-4-ylethanamine;piperidin-4-ylmethanamine;3-piperidin-4-ylpropan-1-amine (PubChem CID 159978195) has the molecular formula C61H146N24O2 and a molecular weight of 1248.00 g/mol. Its IUPAC name is piperazin-1-amine;2-piperazin-1-ylethanamine;2-piperazin-1-ylethanol;piperazin-1-ylmethanamine;3-piperazin-1-ylpropan-1-amine;3-piperazin-1-ylpropan-1-ol;piperidin-4-amine;2-piperidin-4-ylethanamine;piperidin-4-ylmethanamine;3-piperidin-4-ylpropan-1-amine.

Molecular Properties

Compound Namepiperazin-1-amine;2-piperazin-1-ylethanamine;2-piperazin-1-ylethanol;piperazin-1-ylmethanamine;3-piperazin-1-ylpropan-1-amine;3-piperazin-1-ylpropan-1-ol;piperidin-4-amine;2-piperidin-4-ylethanamine;piperidin-4-ylmethanamine;3-piperidin-4-ylpropan-1-amine
PubChem CID159978195
Molecular FormulaC61H146N24O2
Molecular Weight1248.00 g/mol
Exact Mass1247.21
IUPAC Namepiperazin-1-amine;2-piperazin-1-ylethanamine;2-piperazin-1-ylethanol;piperazin-1-ylmethanamine;3-piperazin-1-ylpropan-1-amine;3-piperazin-1-ylpropan-1-ol;piperidin-4-amine;2-piperidin-4-ylethanamine;piperidin-4-ylmethanamine;3-piperidin-4-ylpropan-1-amine
SMILESNC1CCNCC1.NCC1CCNCC1.NCCC1CCNCC1.NCCCC1CCNCC1.NCCCN1CCNCC1.NCCN1CCNCC1.NCN1CCNCC1.NN1CCNCC1.OCCCN1CCNCC1.OCCN1CCNCC1
InChIInChI=1S/C8H18N2.C7H17N3.C7H16N2O.C7H16N2.C6H15N3.C6H14N2O.C6H14N2.C5H13N3.C5H12N2.C4H11N3/c9-5-1-2-8-3-6-10-7-4-8;8-2-1-5-10-6-3-9-4-7-10;10-7-1-4-9-5-2-8-3-6-9;8-4-1-7-2-5-9-6-3-7;7-1-4-9-5-2-8-3-6-9;9-6-5-8-3-1-7-2-4-8;7-5-6-1-3-8-4-2-6;6-5-8-3-1-7-2-4-8;6-5-1-3-7-4-2-5;5-7-3-1-6-2-4-7/h8,10H,1-7,9H2;9H,1-8H2;8,10H,1-7H2;7,9H,1-6,8H2;8H,1-7H2;7,9H,1-6H2;6,8H,1-5,7H2;7H,1-6H2;5,7H,1-4,6H2;6H,1-5H2
InChIKeyOFKRYBIFZRSUOX-UHFFFAOYSA-N
XLogP-5.48
TPSA388.36 Ų
H-Bond Donors20
H-Bond Acceptors26
Rotatable Bonds17
Heavy Atoms87
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001248.00
LogP ≤ 5-5.48
H-Bond Donors ≤ 520
H-Bond Acceptors ≤ 1026

Computed Properties (RDKit)

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

Analyze piperazin-1-amine;2-piperazin-1-ylethanamine;2-piperazin-1-ylethanol;piperazin-1-ylmethanamine;3-piperazin-1-ylpropan-1-amine;3-piperazin-1-ylpropan-1-ol;piperidin-4-amine;2-piperidin-4-ylethanamine;piperidin-4-ylmethanamine;3-piperidin-4-ylpropan-1-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of piperazin-1-amine;2-piperazin-1-ylethanamine;2-piperazin-1-ylethanol;piperazin-1-ylmethanamine;3-piperazin-1-ylpropan-1-amine;3-piperazin-1-ylpropan-1-ol;piperidin-4-amine;2-piperidin-4-ylethanamine;piperidin-4-ylmethanamine;3-piperidin-4-ylpropan-1-amine?
The IUPAC name of piperazin-1-amine;2-piperazin-1-ylethanamine;2-piperazin-1-ylethanol;piperazin-1-ylmethanamine;3-piperazin-1-ylpropan-1-amine;3-piperazin-1-ylpropan-1-ol;piperidin-4-amine;2-piperidin-4-ylethanamine;piperidin-4-ylmethanamine;3-piperidin-4-ylpropan-1-amine (CID 159978195) is piperazin-1-amine;2-piperazin-1-ylethanamine;2-piperazin-1-ylethanol;piperazin-1-ylmethanamine;3-piperazin-1-ylpropan-1-amine;3-piperazin-1-ylpropan-1-ol;piperidin-4-amine;2-piperidin-4-ylethanamine;piperidin-4-ylmethanamine;3-piperidin-4-ylpropan-1-amine.
What is the SMILES notation for piperazin-1-amine;2-piperazin-1-ylethanamine;2-piperazin-1-ylethanol;piperazin-1-ylmethanamine;3-piperazin-1-ylpropan-1-amine;3-piperazin-1-ylpropan-1-ol;piperidin-4-amine;2-piperidin-4-ylethanamine;piperidin-4-ylmethanamine;3-piperidin-4-ylpropan-1-amine?
The canonical SMILES for piperazin-1-amine;2-piperazin-1-ylethanamine;2-piperazin-1-ylethanol;piperazin-1-ylmethanamine;3-piperazin-1-ylpropan-1-amine;3-piperazin-1-ylpropan-1-ol;piperidin-4-amine;2-piperidin-4-ylethanamine;piperidin-4-ylmethanamine;3-piperidin-4-ylpropan-1-amine is NC1CCNCC1.NCC1CCNCC1.NCCC1CCNCC1.NCCCC1CCNCC1.NCCCN1CCNCC1.NCCN1CCNCC1.NCN1CCNCC1.NN1CCNCC1.OCCCN1CCNCC1.OCCN1CCNCC1.
What is the InChIKey of piperazin-1-amine;2-piperazin-1-ylethanamine;2-piperazin-1-ylethanol;piperazin-1-ylmethanamine;3-piperazin-1-ylpropan-1-amine;3-piperazin-1-ylpropan-1-ol;piperidin-4-amine;2-piperidin-4-ylethanamine;piperidin-4-ylmethanamine;3-piperidin-4-ylpropan-1-amine?
The InChIKey is OFKRYBIFZRSUOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2.C7H17N3.C7H16N2O.C7H16N2.C6H15N3.C6H14N2O.C6H14N2.C5H13N3.C5H12N2.C4H11N3/c9-5-1-2-8-3-6-10-7-4-8;8-2-1-5-10-6-3-9-4-7-10;10-7-1-4-9-5-2-8-3-6-9;8-4-1-7-2-5-9-6-3-7;7-1-4-9-5-2-8-3-6-9;9-6-5-8-3-1-7-2-4-8;7-5-6-1-3-8-4-2-6;6-5-8-3-1-7-2-4-8;6-5-1-3-7-4-2-5;5-7-3-1-6-2-4-7/h8,10H,1-7,9H2;9H,1-8H2;8,10H,1-7H2;7,9H,1-6,8H2;8H,1-7H2;7,9H,1-6H2;6,8H,1-5,7H2;7H,1-6H2;5,7H,1-4,6H2;6H,1-5H2.
What are the key properties of piperazin-1-amine;2-piperazin-1-ylethanamine;2-piperazin-1-ylethanol;piperazin-1-ylmethanamine;3-piperazin-1-ylpropan-1-amine;3-piperazin-1-ylpropan-1-ol;piperidin-4-amine;2-piperidin-4-ylethanamine;piperidin-4-ylmethanamine;3-piperidin-4-ylpropan-1-amine?
piperazin-1-amine;2-piperazin-1-ylethanamine;2-piperazin-1-ylethanol;piperazin-1-ylmethanamine;3-piperazin-1-ylpropan-1-amine;3-piperazin-1-ylpropan-1-ol;piperidin-4-amine;2-piperidin-4-ylethanamine;piperidin-4-ylmethanamine;3-piperidin-4-ylpropan-1-amine has a molecular weight of 1248.00 g/mol, XLogP of -5.48, 17 rotatable bonds, 20 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for piperazin-1-amine;2-piperazin-1-ylethanamine;2-piperazin-1-ylethanol;piperazin-1-ylmethanamine;3-piperazin-1-ylpropan-1-amine;3-piperazin-1-ylpropan-1-ol;piperidin-4-amine;2-piperidin-4-ylethanamine;piperidin-4-ylmethanamine;3-piperidin-4-ylpropan-1-amine is sourced from PubChem (CID 159978195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).