ethyl 4-(2-phenylethyl)piperazine-1-carboxylate

C15H22N2O2 — CID 783195

IUPACethyl 4-(2-phenylethyl)piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(CCc2ccccc2)CC1
InChIInChI=1S/C15H22N2O2/c1-2-19-15(18)17-12-10-16(11-13-17)9-8-14-6-4-3-5-7-14/h3-7H,2,8-13H2,1H3
InChIKeyTUHSBGWTTLWJQL-UHFFFAOYSA-N
MW262.35 g/mol
LogP2.00
Rot. Bonds4

About ethyl 4-(2-phenylethyl)piperazine-1-carboxylate

ethyl 4-(2-phenylethyl)piperazine-1-carboxylate (PubChem CID 783195) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is ethyl 4-(2-phenylethyl)piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-(2-phenylethyl)piperazine-1-carboxylate
PubChem CID783195
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Nameethyl 4-(2-phenylethyl)piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(CCc2ccccc2)CC1
InChIInChI=1S/C15H22N2O2/c1-2-19-15(18)17-12-10-16(11-13-17)9-8-14-6-4-3-5-7-14/h3-7H,2,8-13H2,1H3
InChIKeyTUHSBGWTTLWJQL-UHFFFAOYSA-N
XLogP2.00
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-(2-phenylethyl)piperazine-1-carboxylate?
The IUPAC name of ethyl 4-(2-phenylethyl)piperazine-1-carboxylate (CID 783195) is ethyl 4-(2-phenylethyl)piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-(2-phenylethyl)piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-(2-phenylethyl)piperazine-1-carboxylate is CCOC(=O)N1CCN(CCc2ccccc2)CC1.
What is the InChIKey of ethyl 4-(2-phenylethyl)piperazine-1-carboxylate?
The InChIKey is TUHSBGWTTLWJQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-2-19-15(18)17-12-10-16(11-13-17)9-8-14-6-4-3-5-7-14/h3-7H,2,8-13H2,1H3.
What are the key properties of ethyl 4-(2-phenylethyl)piperazine-1-carboxylate?
ethyl 4-(2-phenylethyl)piperazine-1-carboxylate has a molecular weight of 262.35 g/mol, XLogP of 2.00, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(2-phenylethyl)piperazine-1-carboxylate is sourced from PubChem (CID 783195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).