[4-(2-ethoxyphenyl)piperazin-1-yl]-phenylmethanone

C19H22N2O2 — CID 898362

IUPAC[4-(2-ethoxyphenyl)piperazin-1-yl]-phenylmethanone
SMILESCCOc1ccccc1N1CCN(C(=O)c2ccccc2)CC1
InChIInChI=1S/C19H22N2O2/c1-2-23-18-11-7-6-10-17(18)20-12-14-21(15-13-20)19(22)16-8-4-3-5-9-16/h3-11H,2,12-15H2,1H3
InChIKeyWSJFMTQCNMWSJV-UHFFFAOYSA-N
MW310.40 g/mol
LogP3.05
Rot. Bonds4

About [4-(2-ethoxyphenyl)piperazin-1-yl]-phenylmethanone

[4-(2-ethoxyphenyl)piperazin-1-yl]-phenylmethanone (PubChem CID 898362) has the molecular formula C19H22N2O2 and a molecular weight of 310.40 g/mol. Its IUPAC name is [4-(2-ethoxyphenyl)piperazin-1-yl]-phenylmethanone.

Molecular Properties

Compound Name[4-(2-ethoxyphenyl)piperazin-1-yl]-phenylmethanone
PubChem CID898362
Molecular FormulaC19H22N2O2
Molecular Weight310.40 g/mol
Exact Mass310.17
IUPAC Name[4-(2-ethoxyphenyl)piperazin-1-yl]-phenylmethanone
SMILESCCOc1ccccc1N1CCN(C(=O)c2ccccc2)CC1
InChIInChI=1S/C19H22N2O2/c1-2-23-18-11-7-6-10-17(18)20-12-14-21(15-13-20)19(22)16-8-4-3-5-9-16/h3-11H,2,12-15H2,1H3
InChIKeyWSJFMTQCNMWSJV-UHFFFAOYSA-N
XLogP3.05
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-(2-ethoxyphenyl)piperazin-1-yl]-phenylmethanone?
The IUPAC name of [4-(2-ethoxyphenyl)piperazin-1-yl]-phenylmethanone (CID 898362) is [4-(2-ethoxyphenyl)piperazin-1-yl]-phenylmethanone.
What is the SMILES notation for [4-(2-ethoxyphenyl)piperazin-1-yl]-phenylmethanone?
The canonical SMILES for [4-(2-ethoxyphenyl)piperazin-1-yl]-phenylmethanone is CCOc1ccccc1N1CCN(C(=O)c2ccccc2)CC1.
What is the InChIKey of [4-(2-ethoxyphenyl)piperazin-1-yl]-phenylmethanone?
The InChIKey is WSJFMTQCNMWSJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2/c1-2-23-18-11-7-6-10-17(18)20-12-14-21(15-13-20)19(22)16-8-4-3-5-9-16/h3-11H,2,12-15H2,1H3.
What are the key properties of [4-(2-ethoxyphenyl)piperazin-1-yl]-phenylmethanone?
[4-(2-ethoxyphenyl)piperazin-1-yl]-phenylmethanone has a molecular weight of 310.40 g/mol, XLogP of 3.05, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-ethoxyphenyl)piperazin-1-yl]-phenylmethanone is sourced from PubChem (CID 898362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).