1-(4-ethylpiperazin-1-yl)-2-[4-(2-propan-2-yloxyethyl)piperazin-1-yl]ethanone

C17H34N4O2 — CID 170372995

IUPAC1-(4-ethylpiperazin-1-yl)-2-[4-(2-propan-2-yloxyethyl)piperazin-1-yl]ethanone
SMILESCCN1CCN(C(=O)CN2CCN(CCOC(C)C)CC2)CC1
InChIInChI=1S/C17H34N4O2/c1-4-18-9-11-21(12-10-18)17(22)15-20-7-5-19(6-8-20)13-14-23-16(2)3/h16H,4-15H2,1-3H3
InChIKeyBNFBNNPEQDCGDC-UHFFFAOYSA-N
MW326.49 g/mol
LogP0.19
Rot. Bonds7

About 1-(4-ethylpiperazin-1-yl)-2-[4-(2-propan-2-yloxyethyl)piperazin-1-yl]ethanone

1-(4-ethylpiperazin-1-yl)-2-[4-(2-propan-2-yloxyethyl)piperazin-1-yl]ethanone (PubChem CID 170372995) has the molecular formula C17H34N4O2 and a molecular weight of 326.49 g/mol. Its IUPAC name is 1-(4-ethylpiperazin-1-yl)-2-[4-(2-propan-2-yloxyethyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-(4-ethylpiperazin-1-yl)-2-[4-(2-propan-2-yloxyethyl)piperazin-1-yl]ethanone
PubChem CID170372995
Molecular FormulaC17H34N4O2
Molecular Weight326.49 g/mol
Exact Mass326.27
IUPAC Name1-(4-ethylpiperazin-1-yl)-2-[4-(2-propan-2-yloxyethyl)piperazin-1-yl]ethanone
SMILESCCN1CCN(C(=O)CN2CCN(CCOC(C)C)CC2)CC1
InChIInChI=1S/C17H34N4O2/c1-4-18-9-11-21(12-10-18)17(22)15-20-7-5-19(6-8-20)13-14-23-16(2)3/h16H,4-15H2,1-3H3
InChIKeyBNFBNNPEQDCGDC-UHFFFAOYSA-N
XLogP0.19
TPSA39.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.49
LogP ≤ 50.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylpiperazin-1-yl)-2-[4-(2-propan-2-yloxyethyl)piperazin-1-yl]ethanone?
The IUPAC name of 1-(4-ethylpiperazin-1-yl)-2-[4-(2-propan-2-yloxyethyl)piperazin-1-yl]ethanone (CID 170372995) is 1-(4-ethylpiperazin-1-yl)-2-[4-(2-propan-2-yloxyethyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 1-(4-ethylpiperazin-1-yl)-2-[4-(2-propan-2-yloxyethyl)piperazin-1-yl]ethanone?
The canonical SMILES for 1-(4-ethylpiperazin-1-yl)-2-[4-(2-propan-2-yloxyethyl)piperazin-1-yl]ethanone is CCN1CCN(C(=O)CN2CCN(CCOC(C)C)CC2)CC1.
What is the InChIKey of 1-(4-ethylpiperazin-1-yl)-2-[4-(2-propan-2-yloxyethyl)piperazin-1-yl]ethanone?
The InChIKey is BNFBNNPEQDCGDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N4O2/c1-4-18-9-11-21(12-10-18)17(22)15-20-7-5-19(6-8-20)13-14-23-16(2)3/h16H,4-15H2,1-3H3.
What are the key properties of 1-(4-ethylpiperazin-1-yl)-2-[4-(2-propan-2-yloxyethyl)piperazin-1-yl]ethanone?
1-(4-ethylpiperazin-1-yl)-2-[4-(2-propan-2-yloxyethyl)piperazin-1-yl]ethanone has a molecular weight of 326.49 g/mol, XLogP of 0.19, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylpiperazin-1-yl)-2-[4-(2-propan-2-yloxyethyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 170372995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).