1-[4-(2-hydroxyethyl)piperazin-1-yl]-2-piperazin-1-ylpropan-1-one

C13H26N4O2 — CID 43592282

IUPAC1-[4-(2-hydroxyethyl)piperazin-1-yl]-2-piperazin-1-ylpropan-1-one
SMILESCC(C(=O)N1CCN(CCO)CC1)N1CCNCC1
InChIInChI=1S/C13H26N4O2/c1-12(16-4-2-14-3-5-16)13(19)17-8-6-15(7-9-17)10-11-18/h12,14,18H,2-11H2,1H3
InChIKeyNISHYJCIAQUIPA-UHFFFAOYSA-N
MW270.38 g/mol
LogP-1.58
Rot. Bonds4

About 1-[4-(2-hydroxyethyl)piperazin-1-yl]-2-piperazin-1-ylpropan-1-one

1-[4-(2-hydroxyethyl)piperazin-1-yl]-2-piperazin-1-ylpropan-1-one (PubChem CID 43592282) has the molecular formula C13H26N4O2 and a molecular weight of 270.38 g/mol. Its IUPAC name is 1-[4-(2-hydroxyethyl)piperazin-1-yl]-2-piperazin-1-ylpropan-1-one.

Molecular Properties

Compound Name1-[4-(2-hydroxyethyl)piperazin-1-yl]-2-piperazin-1-ylpropan-1-one
PubChem CID43592282
Molecular FormulaC13H26N4O2
Molecular Weight270.38 g/mol
Exact Mass270.21
IUPAC Name1-[4-(2-hydroxyethyl)piperazin-1-yl]-2-piperazin-1-ylpropan-1-one
SMILESCC(C(=O)N1CCN(CCO)CC1)N1CCNCC1
InChIInChI=1S/C13H26N4O2/c1-12(16-4-2-14-3-5-16)13(19)17-8-6-15(7-9-17)10-11-18/h12,14,18H,2-11H2,1H3
InChIKeyNISHYJCIAQUIPA-UHFFFAOYSA-N
XLogP-1.58
TPSA59.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 5-1.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-1-piperazin-1-ylpropan-1-one
CID 107223182
1-morpholin-4-yl-2-piperazin-1-ylpropan-1-one;dihydrochloride
CID 50988307
1-(azepan-1-yl)-2-(1,4-diazepan-1-yl)propan-1-one;hydrochloride
CID 119925291
2-[4,7-bis(2-hydroxyethyl)-1,4,7,10-tetrazacyclododec-1-yl]ethanol
CID 70808226
1-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methylsulfanylpropan-1-one
CID 71941849
1-(3,5-dimethylpiperidin-1-yl)-2-piperazin-1-ylpropan-1-one
CID 43130716
1-(4-ethyl-3-methylpiperazin-1-yl)-2-piperazin-1-ylpropan-1-one
CID 63620232
1-[4-(2-hydroxyethyl)piperazin-1-yl]ethanone
CID 4739629
methanamine;2-piperazin-1-ylethanol
CID 142253011
2-(1,4,7,10-tetrazacyclododec-1-yl)ethanol
CID 12963738
2-piperazin-1-ylethanol;dihydrochloride
CID 21254470
azane;2-piperazin-1-ylethanol
CID 23318747

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-hydroxyethyl)piperazin-1-yl]-2-piperazin-1-ylpropan-1-one?
The IUPAC name of 1-[4-(2-hydroxyethyl)piperazin-1-yl]-2-piperazin-1-ylpropan-1-one (CID 43592282) is 1-[4-(2-hydroxyethyl)piperazin-1-yl]-2-piperazin-1-ylpropan-1-one.
What is the SMILES notation for 1-[4-(2-hydroxyethyl)piperazin-1-yl]-2-piperazin-1-ylpropan-1-one?
The canonical SMILES for 1-[4-(2-hydroxyethyl)piperazin-1-yl]-2-piperazin-1-ylpropan-1-one is CC(C(=O)N1CCN(CCO)CC1)N1CCNCC1.
What is the InChIKey of 1-[4-(2-hydroxyethyl)piperazin-1-yl]-2-piperazin-1-ylpropan-1-one?
The InChIKey is NISHYJCIAQUIPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4O2/c1-12(16-4-2-14-3-5-16)13(19)17-8-6-15(7-9-17)10-11-18/h12,14,18H,2-11H2,1H3.
What are the key properties of 1-[4-(2-hydroxyethyl)piperazin-1-yl]-2-piperazin-1-ylpropan-1-one?
1-[4-(2-hydroxyethyl)piperazin-1-yl]-2-piperazin-1-ylpropan-1-one has a molecular weight of 270.38 g/mol, XLogP of -1.58, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-hydroxyethyl)piperazin-1-yl]-2-piperazin-1-ylpropan-1-one is sourced from PubChem (CID 43592282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).