2-(4-benzylpiperazin-1-yl)-1-phenylethanone

C19H22N2O — CID 2765003

IUPAC2-(4-benzylpiperazin-1-yl)-1-phenylethanone
SMILESO=C(CN1CCN(Cc2ccccc2)CC1)c1ccccc1
InChIInChI=1S/C19H22N2O/c22-19(18-9-5-2-6-10-18)16-21-13-11-20(12-14-21)15-17-7-3-1-4-8-17/h1-10H,11-16H2
InChIKeyRIEJQUMBGGUKHN-UHFFFAOYSA-N
MW294.40 g/mol
LogP2.69
Rot. Bonds5

About 2-(4-benzylpiperazin-1-yl)-1-phenylethanone

2-(4-benzylpiperazin-1-yl)-1-phenylethanone (PubChem CID 2765003) has the molecular formula C19H22N2O and a molecular weight of 294.40 g/mol. Its IUPAC name is 2-(4-benzylpiperazin-1-yl)-1-phenylethanone.

Molecular Properties

Compound Name2-(4-benzylpiperazin-1-yl)-1-phenylethanone
PubChem CID2765003
Molecular FormulaC19H22N2O
Molecular Weight294.40 g/mol
Exact Mass294.17
IUPAC Name2-(4-benzylpiperazin-1-yl)-1-phenylethanone
SMILESO=C(CN1CCN(Cc2ccccc2)CC1)c1ccccc1
InChIInChI=1S/C19H22N2O/c22-19(18-9-5-2-6-10-18)16-21-13-11-20(12-14-21)15-17-7-3-1-4-8-17/h1-10H,11-16H2
InChIKeyRIEJQUMBGGUKHN-UHFFFAOYSA-N
XLogP2.69
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-benzylpiperazin-1-yl)-1-phenylethanone?
The IUPAC name of 2-(4-benzylpiperazin-1-yl)-1-phenylethanone (CID 2765003) is 2-(4-benzylpiperazin-1-yl)-1-phenylethanone.
What is the SMILES notation for 2-(4-benzylpiperazin-1-yl)-1-phenylethanone?
The canonical SMILES for 2-(4-benzylpiperazin-1-yl)-1-phenylethanone is O=C(CN1CCN(Cc2ccccc2)CC1)c1ccccc1.
What is the InChIKey of 2-(4-benzylpiperazin-1-yl)-1-phenylethanone?
The InChIKey is RIEJQUMBGGUKHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O/c22-19(18-9-5-2-6-10-18)16-21-13-11-20(12-14-21)15-17-7-3-1-4-8-17/h1-10H,11-16H2.
What are the key properties of 2-(4-benzylpiperazin-1-yl)-1-phenylethanone?
2-(4-benzylpiperazin-1-yl)-1-phenylethanone has a molecular weight of 294.40 g/mol, XLogP of 2.69, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzylpiperazin-1-yl)-1-phenylethanone is sourced from PubChem (CID 2765003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).