2-[4-[2-[4-(2-piperazin-1-ylethyl)piperazin-1-yl]ethyl]piperazin-1-yl]ethanamine

C18H39N7 — CID 130322012

IUPAC2-[4-[2-[4-(2-piperazin-1-ylethyl)piperazin-1-yl]ethyl]piperazin-1-yl]ethanamine
SMILESNCCN1CCN(CCN2CCN(CCN3CCNCC3)CC2)CC1
InChIInChI=1S/C18H39N7/c19-1-4-21-7-10-23(11-8-21)13-16-25-17-14-24(15-18-25)12-9-22-5-2-20-3-6-22/h20H,1-19H2
InChIKeyVTXJRUWPPKVQBT-UHFFFAOYSA-N
MW353.56 g/mol
LogP-1.91
Rot. Bonds8

About 2-[4-[2-[4-(2-piperazin-1-ylethyl)piperazin-1-yl]ethyl]piperazin-1-yl]ethanamine

2-[4-[2-[4-(2-piperazin-1-ylethyl)piperazin-1-yl]ethyl]piperazin-1-yl]ethanamine (PubChem CID 130322012) has the molecular formula C18H39N7 and a molecular weight of 353.56 g/mol. Its IUPAC name is 2-[4-[2-[4-(2-piperazin-1-ylethyl)piperazin-1-yl]ethyl]piperazin-1-yl]ethanamine.

Molecular Properties

Compound Name2-[4-[2-[4-(2-piperazin-1-ylethyl)piperazin-1-yl]ethyl]piperazin-1-yl]ethanamine
PubChem CID130322012
Molecular FormulaC18H39N7
Molecular Weight353.56 g/mol
Exact Mass353.33
IUPAC Name2-[4-[2-[4-(2-piperazin-1-ylethyl)piperazin-1-yl]ethyl]piperazin-1-yl]ethanamine
SMILESNCCN1CCN(CCN2CCN(CCN3CCNCC3)CC2)CC1
InChIInChI=1S/C18H39N7/c19-1-4-21-7-10-23(11-8-21)13-16-25-17-14-24(15-18-25)12-9-22-5-2-20-3-6-22/h20H,1-19H2
InChIKeyVTXJRUWPPKVQBT-UHFFFAOYSA-N
XLogP-1.91
TPSA54.25 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.56
LogP ≤ 5-1.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[4-[2-[4-(2-piperazin-1-ylethyl)piperazin-1-yl]ethyl]piperazin-1-yl]ethanamine with MolForge

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Related Compounds

methane;2-piperazin-1-ylethanamine
CID 160655027
1-(2-piperazin-1-ylethyl)-4-(piperazin-1-ylmethyl)piperazine
CID 91441427
4-piperazin-1-ylbutan-1-amine;dihydrochloride
CID 139993876
5-piperazin-1-ylpentan-1-amine;hydrochloride
CID 86346240
2-[4-[2-(4-methylpiperazin-1-yl)ethyl]piperazin-1-yl]ethanamine
CID 82890041
1-(2-piperazin-1-ylethyl)azocane
CID 60851971
2-piperazin-1-ylethanamine;pyrrolidin-2-one
CID 174882748
1-[4-(2-aminobutyl)piperazin-1-yl]butan-2-amine;1-[4-(2-aminoethyl)piperazin-1-yl]butan-2-amine;1-[4-(2-aminopropyl)piperazin-1-yl]propan-2-amine;1-piperazin-1-ylbutan-2-amine;1-piperazin-1-ylpropan-2-amine
CID 159939568
1-(2-pyrrolidin-1-ylethyl)-1,4-diazepane
CID 2772404
2-[4,7-bis(2-hydroxyethyl)-1,4,7,10-tetrazacyclododec-1-yl]ethanol
CID 70808226
N-(2-piperazin-1-ylethyl)propan-2-amine;2-(4-propan-2-ylpiperazin-1-yl)ethanamine
CID 157484859
3-(1,4,8-triazacycloundec-1-yl)propan-1-amine
CID 142128574

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-[4-(2-piperazin-1-ylethyl)piperazin-1-yl]ethyl]piperazin-1-yl]ethanamine?
The IUPAC name of 2-[4-[2-[4-(2-piperazin-1-ylethyl)piperazin-1-yl]ethyl]piperazin-1-yl]ethanamine (CID 130322012) is 2-[4-[2-[4-(2-piperazin-1-ylethyl)piperazin-1-yl]ethyl]piperazin-1-yl]ethanamine.
What is the SMILES notation for 2-[4-[2-[4-(2-piperazin-1-ylethyl)piperazin-1-yl]ethyl]piperazin-1-yl]ethanamine?
The canonical SMILES for 2-[4-[2-[4-(2-piperazin-1-ylethyl)piperazin-1-yl]ethyl]piperazin-1-yl]ethanamine is NCCN1CCN(CCN2CCN(CCN3CCNCC3)CC2)CC1.
What is the InChIKey of 2-[4-[2-[4-(2-piperazin-1-ylethyl)piperazin-1-yl]ethyl]piperazin-1-yl]ethanamine?
The InChIKey is VTXJRUWPPKVQBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H39N7/c19-1-4-21-7-10-23(11-8-21)13-16-25-17-14-24(15-18-25)12-9-22-5-2-20-3-6-22/h20H,1-19H2.
What are the key properties of 2-[4-[2-[4-(2-piperazin-1-ylethyl)piperazin-1-yl]ethyl]piperazin-1-yl]ethanamine?
2-[4-[2-[4-(2-piperazin-1-ylethyl)piperazin-1-yl]ethyl]piperazin-1-yl]ethanamine has a molecular weight of 353.56 g/mol, XLogP of -1.91, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-[4-(2-piperazin-1-ylethyl)piperazin-1-yl]ethyl]piperazin-1-yl]ethanamine is sourced from PubChem (CID 130322012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).