3-[1-(3-aminopropyl)piperazin-2-yl]propan-1-amine;piperazine

C14H34N6 — CID 174901331

IUPAC3-[1-(3-aminopropyl)piperazin-2-yl]propan-1-amine;piperazine
SMILESC1CNCCN1.NCCCC1CNCCN1CCCN
InChIInChI=1S/C10H24N4.C4H10N2/c11-4-1-3-10-9-13-6-8-14(10)7-2-5-12;1-2-6-4-3-5-1/h10,13H,1-9,11-12H2;5-6H,1-4H2
InChIKeyVZEQMWQBPWERLO-UHFFFAOYSA-N
MW286.47 g/mol
LogP-1.47
Rot. Bonds6

About 3-[1-(3-aminopropyl)piperazin-2-yl]propan-1-amine;piperazine

3-[1-(3-aminopropyl)piperazin-2-yl]propan-1-amine;piperazine (PubChem CID 174901331) has the molecular formula C14H34N6 and a molecular weight of 286.47 g/mol. Its IUPAC name is 3-[1-(3-aminopropyl)piperazin-2-yl]propan-1-amine;piperazine.

Molecular Properties

Compound Name3-[1-(3-aminopropyl)piperazin-2-yl]propan-1-amine;piperazine
PubChem CID174901331
Molecular FormulaC14H34N6
Molecular Weight286.47 g/mol
Exact Mass286.28
IUPAC Name3-[1-(3-aminopropyl)piperazin-2-yl]propan-1-amine;piperazine
SMILESC1CNCCN1.NCCCC1CNCCN1CCCN
InChIInChI=1S/C10H24N4.C4H10N2/c11-4-1-3-10-9-13-6-8-14(10)7-2-5-12;1-2-6-4-3-5-1/h10,13H,1-9,11-12H2;5-6H,1-4H2
InChIKeyVZEQMWQBPWERLO-UHFFFAOYSA-N
XLogP-1.47
TPSA91.37 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.47
LogP ≤ 5-1.47
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(3-aminopropyl)piperazin-2-yl]propan-1-amine;piperazine?
The IUPAC name of 3-[1-(3-aminopropyl)piperazin-2-yl]propan-1-amine;piperazine (CID 174901331) is 3-[1-(3-aminopropyl)piperazin-2-yl]propan-1-amine;piperazine.
What is the SMILES notation for 3-[1-(3-aminopropyl)piperazin-2-yl]propan-1-amine;piperazine?
The canonical SMILES for 3-[1-(3-aminopropyl)piperazin-2-yl]propan-1-amine;piperazine is C1CNCCN1.NCCCC1CNCCN1CCCN.
What is the InChIKey of 3-[1-(3-aminopropyl)piperazin-2-yl]propan-1-amine;piperazine?
The InChIKey is VZEQMWQBPWERLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H24N4.C4H10N2/c11-4-1-3-10-9-13-6-8-14(10)7-2-5-12;1-2-6-4-3-5-1/h10,13H,1-9,11-12H2;5-6H,1-4H2.
What are the key properties of 3-[1-(3-aminopropyl)piperazin-2-yl]propan-1-amine;piperazine?
3-[1-(3-aminopropyl)piperazin-2-yl]propan-1-amine;piperazine has a molecular weight of 286.47 g/mol, XLogP of -1.47, 6 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(3-aminopropyl)piperazin-2-yl]propan-1-amine;piperazine is sourced from PubChem (CID 174901331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).