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

C19H30N4O2 — CID 8528679

IUPAC(2R)-1-(4-ethylpiperazin-1-yl)-2-[4-(2-hydroxyphenyl)piperazin-1-yl]propan-1-one
SMILESCCN1CCN(C(=O)[C@@H](C)N2CCN(c3ccccc3O)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)17-6-4-5-7-18(17)24/h4-7,16,24H,3,8-15H2,1-2H3/t16-/m1/s1
InChIKeyUTJZLOGSHZDKMM-MRXNPFEDSA-N
MW346.47 g/mol
LogP1.07
Rot. Bonds4

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

(2R)-1-(4-ethylpiperazin-1-yl)-2-[4-(2-hydroxyphenyl)piperazin-1-yl]propan-1-one (PubChem CID 8528679) has the molecular formula C19H30N4O2 and a molecular weight of 346.47 g/mol. Its IUPAC name is (2R)-1-(4-ethylpiperazin-1-yl)-2-[4-(2-hydroxyphenyl)piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name(2R)-1-(4-ethylpiperazin-1-yl)-2-[4-(2-hydroxyphenyl)piperazin-1-yl]propan-1-one
PubChem CID8528679
Molecular FormulaC19H30N4O2
Molecular Weight346.47 g/mol
Exact Mass346.24
IUPAC Name(2R)-1-(4-ethylpiperazin-1-yl)-2-[4-(2-hydroxyphenyl)piperazin-1-yl]propan-1-one
SMILESCCN1CCN(C(=O)[C@@H](C)N2CCN(c3ccccc3O)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)17-6-4-5-7-18(17)24/h4-7,16,24H,3,8-15H2,1-2H3/t16-/m1/s1
InChIKeyUTJZLOGSHZDKMM-MRXNPFEDSA-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

Analyze (2R)-1-(4-ethylpiperazin-1-yl)-2-[4-(2-hydroxyphenyl)piperazin-1-yl]propan-1-one with MolForge

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Related Compounds

1-(4-ethylpiperazin-1-yl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]propan-1-one
CID 78754651
2-[4-(4-chlorophenyl)piperazin-1-yl]-1-(4-ethylpiperazin-1-yl)propan-1-one
CID 46055863
2-chloro-1-[4-(2-hydroxyphenyl)piperazin-1-yl]propan-1-one
CID 54592434
2-[4-(2-fluorophenyl)piperazin-1-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 46043420
2-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-1-(4-ethylpiperazin-1-yl)propan-1-one
CID 78823408
2-amino-1-[4-(2-hydroxyphenyl)piperazin-1-yl]butan-1-one
CID 54868660
2-(4-benzylsulfonylpiperazin-1-yl)-1-(4-ethylpiperazin-1-yl)propan-1-one
CID 24654199
(2R)-1,2-bis(4-phenylpiperazin-1-yl)propan-1-one
CID 9250288
(2S)-2-amino-1-[4-(2-hydroxyphenyl)piperazin-1-yl]butan-1-one;dihydrochloride
CID 75494290
(2S)-1-(2,3-dihydroindol-1-yl)-2-(4-ethylpiperazin-1-yl)propan-1-one
CID 1439229
(2S)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-1-(4-prop-2-enylpiperazin-1-yl)propan-1-one
CID 92987474
4-amino-1-[4-(2-hydroxyphenyl)piperazin-1-yl]-2-methylbutan-1-one
CID 80542807

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(4-ethylpiperazin-1-yl)-2-[4-(2-hydroxyphenyl)piperazin-1-yl]propan-1-one?
The IUPAC name of (2R)-1-(4-ethylpiperazin-1-yl)-2-[4-(2-hydroxyphenyl)piperazin-1-yl]propan-1-one (CID 8528679) is (2R)-1-(4-ethylpiperazin-1-yl)-2-[4-(2-hydroxyphenyl)piperazin-1-yl]propan-1-one.
What is the SMILES notation for (2R)-1-(4-ethylpiperazin-1-yl)-2-[4-(2-hydroxyphenyl)piperazin-1-yl]propan-1-one?
The canonical SMILES for (2R)-1-(4-ethylpiperazin-1-yl)-2-[4-(2-hydroxyphenyl)piperazin-1-yl]propan-1-one is CCN1CCN(C(=O)[C@@H](C)N2CCN(c3ccccc3O)CC2)CC1.
What is the InChIKey of (2R)-1-(4-ethylpiperazin-1-yl)-2-[4-(2-hydroxyphenyl)piperazin-1-yl]propan-1-one?
The InChIKey is UTJZLOGSHZDKMM-MRXNPFEDSA-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)17-6-4-5-7-18(17)24/h4-7,16,24H,3,8-15H2,1-2H3/t16-/m1/s1.
What are the key properties of (2R)-1-(4-ethylpiperazin-1-yl)-2-[4-(2-hydroxyphenyl)piperazin-1-yl]propan-1-one?
(2R)-1-(4-ethylpiperazin-1-yl)-2-[4-(2-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 (2R)-1-(4-ethylpiperazin-1-yl)-2-[4-(2-hydroxyphenyl)piperazin-1-yl]propan-1-one is sourced from PubChem (CID 8528679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).