1-phenylethyl 4-phenylpiperazine-1-carboxylate

C19H22N2O2 — CID 86089046

IUPAC1-phenylethyl 4-phenylpiperazine-1-carboxylate
SMILESCC(OC(=O)N1CCN(c2ccccc2)CC1)c1ccccc1
InChIInChI=1S/C19H22N2O2/c1-16(17-8-4-2-5-9-17)23-19(22)21-14-12-20(13-15-21)18-10-6-3-7-11-18/h2-11,16H,12-15H2,1H3
InChIKeyPDKHABQXLNBOLO-UHFFFAOYSA-N
MW310.40 g/mol
LogP3.71
Rot. Bonds3

About 1-phenylethyl 4-phenylpiperazine-1-carboxylate

1-phenylethyl 4-phenylpiperazine-1-carboxylate (PubChem CID 86089046) has the molecular formula C19H22N2O2 and a molecular weight of 310.40 g/mol. Its IUPAC name is 1-phenylethyl 4-phenylpiperazine-1-carboxylate.

Molecular Properties

Compound Name1-phenylethyl 4-phenylpiperazine-1-carboxylate
PubChem CID86089046
Molecular FormulaC19H22N2O2
Molecular Weight310.40 g/mol
Exact Mass310.17
IUPAC Name1-phenylethyl 4-phenylpiperazine-1-carboxylate
SMILESCC(OC(=O)N1CCN(c2ccccc2)CC1)c1ccccc1
InChIInChI=1S/C19H22N2O2/c1-16(17-8-4-2-5-9-17)23-19(22)21-14-12-20(13-15-21)18-10-6-3-7-11-18/h2-11,16H,12-15H2,1H3
InChIKeyPDKHABQXLNBOLO-UHFFFAOYSA-N
XLogP3.71
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-phenylethyl 4-phenylpiperazine-1-carboxylate?
The IUPAC name of 1-phenylethyl 4-phenylpiperazine-1-carboxylate (CID 86089046) is 1-phenylethyl 4-phenylpiperazine-1-carboxylate.
What is the SMILES notation for 1-phenylethyl 4-phenylpiperazine-1-carboxylate?
The canonical SMILES for 1-phenylethyl 4-phenylpiperazine-1-carboxylate is CC(OC(=O)N1CCN(c2ccccc2)CC1)c1ccccc1.
What is the InChIKey of 1-phenylethyl 4-phenylpiperazine-1-carboxylate?
The InChIKey is PDKHABQXLNBOLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2/c1-16(17-8-4-2-5-9-17)23-19(22)21-14-12-20(13-15-21)18-10-6-3-7-11-18/h2-11,16H,12-15H2,1H3.
What are the key properties of 1-phenylethyl 4-phenylpiperazine-1-carboxylate?
1-phenylethyl 4-phenylpiperazine-1-carboxylate has a molecular weight of 310.40 g/mol, XLogP of 3.71, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenylethyl 4-phenylpiperazine-1-carboxylate is sourced from PubChem (CID 86089046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).