1-(4-benzylpiperazin-1-yl)-2-(4-ethylphenoxy)butan-1-one

C23H30N2O2 — CID 132654804

IUPAC1-(4-benzylpiperazin-1-yl)-2-(4-ethylphenoxy)butan-1-one
SMILESCCc1ccc(OC(CC)C(=O)N2CCN(Cc3ccccc3)CC2)cc1
InChIInChI=1S/C23H30N2O2/c1-3-19-10-12-21(13-11-19)27-22(4-2)23(26)25-16-14-24(15-17-25)18-20-8-6-5-7-9-20/h5-13,22H,3-4,14-18H2,1-2H3
InChIKeyMVHGKCVBWZVWAZ-UHFFFAOYSA-N
MW366.51 g/mol
LogP3.75
Rot. Bonds7

About 1-(4-benzylpiperazin-1-yl)-2-(4-ethylphenoxy)butan-1-one

1-(4-benzylpiperazin-1-yl)-2-(4-ethylphenoxy)butan-1-one (PubChem CID 132654804) has the molecular formula C23H30N2O2 and a molecular weight of 366.51 g/mol. Its IUPAC name is 1-(4-benzylpiperazin-1-yl)-2-(4-ethylphenoxy)butan-1-one.

Molecular Properties

Compound Name1-(4-benzylpiperazin-1-yl)-2-(4-ethylphenoxy)butan-1-one
PubChem CID132654804
Molecular FormulaC23H30N2O2
Molecular Weight366.51 g/mol
Exact Mass366.23
IUPAC Name1-(4-benzylpiperazin-1-yl)-2-(4-ethylphenoxy)butan-1-one
SMILESCCc1ccc(OC(CC)C(=O)N2CCN(Cc3ccccc3)CC2)cc1
InChIInChI=1S/C23H30N2O2/c1-3-19-10-12-21(13-11-19)27-22(4-2)23(26)25-16-14-24(15-17-25)18-20-8-6-5-7-9-20/h5-13,22H,3-4,14-18H2,1-2H3
InChIKeyMVHGKCVBWZVWAZ-UHFFFAOYSA-N
XLogP3.75
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.51
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-benzylpiperazin-1-yl)-2-(4-methylphenoxy)butan-1-one
CID 21472286
(2R)-1-(4-benzylpiperazin-1-yl)-2-(4-fluorophenoxy)butan-1-one
CID 30390452
(2R)-2-(4-ethylphenoxy)-1-(4-phenylpiperazin-1-yl)butan-1-one
CID 99132960
(2S)-2-phenoxy-1-[4-[(2S)-2-phenoxybutanoyl]piperazin-1-yl]butan-1-one
CID 7302330
1-(4-benzylpiperazin-1-yl)-2-phenoxyoctan-1-one
CID 21472215
1-(4-benzylpiperazin-1-yl)-2-ethylbutan-1-one
CID 1092017
methyl 1-[2-(4-ethylphenoxy)butanoyl]piperidine-4-carboxylate
CID 132651627
1-(4-benzylpiperazin-1-yl)-2-(3,4-dichlorophenoxy)hexan-1-one
CID 21472246
1-(4-benzylpiperazin-1-yl)-2-(4-methylphenoxy)propan-1-one
CID 17200498
2-amino-1-(4-benzylpiperazin-1-yl)-3-methylpentan-1-one
CID 24704627
2-(4-methylphenoxy)-1-(4-phenylpiperazin-1-yl)butan-1-one
CID 44782482
2-phenoxy-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]butan-1-one
CID 6085432

Frequently Asked Questions

What is the IUPAC name of 1-(4-benzylpiperazin-1-yl)-2-(4-ethylphenoxy)butan-1-one?
The IUPAC name of 1-(4-benzylpiperazin-1-yl)-2-(4-ethylphenoxy)butan-1-one (CID 132654804) is 1-(4-benzylpiperazin-1-yl)-2-(4-ethylphenoxy)butan-1-one.
What is the SMILES notation for 1-(4-benzylpiperazin-1-yl)-2-(4-ethylphenoxy)butan-1-one?
The canonical SMILES for 1-(4-benzylpiperazin-1-yl)-2-(4-ethylphenoxy)butan-1-one is CCc1ccc(OC(CC)C(=O)N2CCN(Cc3ccccc3)CC2)cc1.
What is the InChIKey of 1-(4-benzylpiperazin-1-yl)-2-(4-ethylphenoxy)butan-1-one?
The InChIKey is MVHGKCVBWZVWAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O2/c1-3-19-10-12-21(13-11-19)27-22(4-2)23(26)25-16-14-24(15-17-25)18-20-8-6-5-7-9-20/h5-13,22H,3-4,14-18H2,1-2H3.
What are the key properties of 1-(4-benzylpiperazin-1-yl)-2-(4-ethylphenoxy)butan-1-one?
1-(4-benzylpiperazin-1-yl)-2-(4-ethylphenoxy)butan-1-one has a molecular weight of 366.51 g/mol, XLogP of 3.75, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-benzylpiperazin-1-yl)-2-(4-ethylphenoxy)butan-1-one is sourced from PubChem (CID 132654804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).