1-(4-ethylpiperazin-1-yl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]propan-1-one

C19H30N4O2 — CID 78754651

IUPAC1-(4-ethylpiperazin-1-yl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]propan-1-one
SMILESCCN1CCN(C(=O)C(C)N2CCN(c3ccc(O)cc3)CC2)CC1
InChIInChI=1S/C19H30N4O2/c1-3-20-8-10-23(11-9-20)19(25)16(2)21-12-14-22(15-13-21)17-4-6-18(24)7-5-17/h4-7,16,24H,3,8-15H2,1-2H3
InChIKeyZCMBBVKXKIOTDS-UHFFFAOYSA-N
MW346.47 g/mol
LogP1.07
Rot. Bonds4

About 1-(4-ethylpiperazin-1-yl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]propan-1-one

1-(4-ethylpiperazin-1-yl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]propan-1-one (PubChem CID 78754651) has the molecular formula C19H30N4O2 and a molecular weight of 346.47 g/mol. Its IUPAC name is 1-(4-ethylpiperazin-1-yl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-(4-ethylpiperazin-1-yl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]propan-1-one
PubChem CID78754651
Molecular FormulaC19H30N4O2
Molecular Weight346.47 g/mol
Exact Mass346.24
IUPAC Name1-(4-ethylpiperazin-1-yl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]propan-1-one
SMILESCCN1CCN(C(=O)C(C)N2CCN(c3ccc(O)cc3)CC2)CC1
InChIInChI=1S/C19H30N4O2/c1-3-20-8-10-23(11-9-20)19(25)16(2)21-12-14-22(15-13-21)17-4-6-18(24)7-5-17/h4-7,16,24H,3,8-15H2,1-2H3
InChIKeyZCMBBVKXKIOTDS-UHFFFAOYSA-N
XLogP1.07
TPSA50.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.47
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(4-chlorophenyl)piperazin-1-yl]-1-(4-ethylpiperazin-1-yl)propan-1-one
CID 46055863
(2R)-1-(4-ethylpiperazin-1-yl)-2-[4-(2-hydroxyphenyl)piperazin-1-yl]propan-1-one
CID 8528679
(2R)-1,2-bis(4-phenylpiperazin-1-yl)propan-1-one
CID 9250288
2-amino-1-[4-(4-hydroxyphenyl)piperazin-1-yl]propan-1-one
CID 54868636
(2R)-2-(4-acetylpiperazin-1-yl)-1-(4-phenylpiperazin-1-yl)propan-1-one
CID 9276559
1-(4-benzylpiperazin-1-yl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one
CID 17496772
2-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-1-(4-ethylpiperazin-1-yl)propan-1-one
CID 78823408
(2S)-2-amino-1-[4-(4-hydroxyphenyl)piperazin-1-yl]-3-methylpentan-1-one
CID 61173212
(2R)-2-amino-1-[4-(4-hydroxyphenyl)piperazin-1-yl]propan-1-one;dihydrochloride
CID 119826928
1-(4-ethylpiperazin-1-yl)-2-[4-(1-hydroxybutan-2-yl)piperazin-1-yl]propan-1-one
CID 111489679
2-[4-(4-fluorophenyl)piperazin-1-yl]-1-morpholin-4-ylpropan-1-one
CID 78786208
4-(4-butan-2-ylpiperazin-1-yl)phenol;dihydrobromide
CID 20519340

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylpiperazin-1-yl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]propan-1-one?
The IUPAC name of 1-(4-ethylpiperazin-1-yl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]propan-1-one (CID 78754651) is 1-(4-ethylpiperazin-1-yl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]propan-1-one.
What is the SMILES notation for 1-(4-ethylpiperazin-1-yl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]propan-1-one?
The canonical SMILES for 1-(4-ethylpiperazin-1-yl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]propan-1-one is CCN1CCN(C(=O)C(C)N2CCN(c3ccc(O)cc3)CC2)CC1.
What is the InChIKey of 1-(4-ethylpiperazin-1-yl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]propan-1-one?
The InChIKey is ZCMBBVKXKIOTDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O2/c1-3-20-8-10-23(11-9-20)19(25)16(2)21-12-14-22(15-13-21)17-4-6-18(24)7-5-17/h4-7,16,24H,3,8-15H2,1-2H3.
What are the key properties of 1-(4-ethylpiperazin-1-yl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]propan-1-one?
1-(4-ethylpiperazin-1-yl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]propan-1-one has a molecular weight of 346.47 g/mol, XLogP of 1.07, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylpiperazin-1-yl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]propan-1-one is sourced from PubChem (CID 78754651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).