(4-benzylpiperazin-1-yl)-(4-ethoxyphenyl)methanone

C20H24N2O2 — CID 673609

IUPAC(4-benzylpiperazin-1-yl)-(4-ethoxyphenyl)methanone
SMILESCCOc1ccc(C(=O)N2CCN(Cc3ccccc3)CC2)cc1
InChIInChI=1S/C20H24N2O2/c1-2-24-19-10-8-18(9-11-19)20(23)22-14-12-21(13-15-22)16-17-6-4-3-5-7-17/h3-11H,2,12-16H2,1H3
InChIKeyDURVRLMGSPJXBH-UHFFFAOYSA-N
MW324.42 g/mol
LogP3.04
Rot. Bonds5

About (4-benzylpiperazin-1-yl)-(4-ethoxyphenyl)methanone

(4-benzylpiperazin-1-yl)-(4-ethoxyphenyl)methanone (PubChem CID 673609) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is (4-benzylpiperazin-1-yl)-(4-ethoxyphenyl)methanone.

Molecular Properties

Compound Name(4-benzylpiperazin-1-yl)-(4-ethoxyphenyl)methanone
PubChem CID673609
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC Name(4-benzylpiperazin-1-yl)-(4-ethoxyphenyl)methanone
SMILESCCOc1ccc(C(=O)N2CCN(Cc3ccccc3)CC2)cc1
InChIInChI=1S/C20H24N2O2/c1-2-24-19-10-8-18(9-11-19)20(23)22-14-12-21(13-15-22)16-17-6-4-3-5-7-17/h3-11H,2,12-16H2,1H3
InChIKeyDURVRLMGSPJXBH-UHFFFAOYSA-N
XLogP3.04
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-benzylpiperazin-1-yl)-(4-ethoxyphenyl)methanone?
The IUPAC name of (4-benzylpiperazin-1-yl)-(4-ethoxyphenyl)methanone (CID 673609) is (4-benzylpiperazin-1-yl)-(4-ethoxyphenyl)methanone.
What is the SMILES notation for (4-benzylpiperazin-1-yl)-(4-ethoxyphenyl)methanone?
The canonical SMILES for (4-benzylpiperazin-1-yl)-(4-ethoxyphenyl)methanone is CCOc1ccc(C(=O)N2CCN(Cc3ccccc3)CC2)cc1.
What is the InChIKey of (4-benzylpiperazin-1-yl)-(4-ethoxyphenyl)methanone?
The InChIKey is DURVRLMGSPJXBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2/c1-2-24-19-10-8-18(9-11-19)20(23)22-14-12-21(13-15-22)16-17-6-4-3-5-7-17/h3-11H,2,12-16H2,1H3.
What are the key properties of (4-benzylpiperazin-1-yl)-(4-ethoxyphenyl)methanone?
(4-benzylpiperazin-1-yl)-(4-ethoxyphenyl)methanone has a molecular weight of 324.42 g/mol, XLogP of 3.04, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-benzylpiperazin-1-yl)-(4-ethoxyphenyl)methanone is sourced from PubChem (CID 673609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).