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

C19H22N2O2 — CID 710515

IUPAC(4-ethoxyphenyl)-(4-phenylpiperazin-1-yl)methanone
SMILESCCOc1ccc(C(=O)N2CCN(c3ccccc3)CC2)cc1
InChIInChI=1S/C19H22N2O2/c1-2-23-18-10-8-16(9-11-18)19(22)21-14-12-20(13-15-21)17-6-4-3-5-7-17/h3-11H,2,12-15H2,1H3
InChIKeyLAOATAZHSOBHFH-UHFFFAOYSA-N
MW310.40 g/mol
LogP3.05
Rot. Bonds4

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

(4-ethoxyphenyl)-(4-phenylpiperazin-1-yl)methanone (PubChem CID 710515) has the molecular formula C19H22N2O2 and a molecular weight of 310.40 g/mol. Its IUPAC name is (4-ethoxyphenyl)-(4-phenylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(4-ethoxyphenyl)-(4-phenylpiperazin-1-yl)methanone
PubChem CID710515
Molecular FormulaC19H22N2O2
Molecular Weight310.40 g/mol
Exact Mass310.17
IUPAC Name(4-ethoxyphenyl)-(4-phenylpiperazin-1-yl)methanone
SMILESCCOc1ccc(C(=O)N2CCN(c3ccccc3)CC2)cc1
InChIInChI=1S/C19H22N2O2/c1-2-23-18-10-8-16(9-11-18)19(22)21-14-12-20(13-15-21)17-6-4-3-5-7-17/h3-11H,2,12-15H2,1H3
InChIKeyLAOATAZHSOBHFH-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-ethoxyphenyl)-(4-phenylpiperazin-1-yl)methanone?
The IUPAC name of (4-ethoxyphenyl)-(4-phenylpiperazin-1-yl)methanone (CID 710515) is (4-ethoxyphenyl)-(4-phenylpiperazin-1-yl)methanone.
What is the SMILES notation for (4-ethoxyphenyl)-(4-phenylpiperazin-1-yl)methanone?
The canonical SMILES for (4-ethoxyphenyl)-(4-phenylpiperazin-1-yl)methanone is CCOc1ccc(C(=O)N2CCN(c3ccccc3)CC2)cc1.
What is the InChIKey of (4-ethoxyphenyl)-(4-phenylpiperazin-1-yl)methanone?
The InChIKey is LAOATAZHSOBHFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2/c1-2-23-18-10-8-16(9-11-18)19(22)21-14-12-20(13-15-21)17-6-4-3-5-7-17/h3-11H,2,12-15H2,1H3.
What are the key properties of (4-ethoxyphenyl)-(4-phenylpiperazin-1-yl)methanone?
(4-ethoxyphenyl)-(4-phenylpiperazin-1-yl)methanone 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-ethoxyphenyl)-(4-phenylpiperazin-1-yl)methanone is sourced from PubChem (CID 710515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).