ethyl 4-(3-phenylpropyl)piperazine-1-carboxylate

C16H24N2O2 — CID 783518

IUPACethyl 4-(3-phenylpropyl)piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(CCCc2ccccc2)CC1
InChIInChI=1S/C16H24N2O2/c1-2-20-16(19)18-13-11-17(12-14-18)10-6-9-15-7-4-3-5-8-15/h3-5,7-8H,2,6,9-14H2,1H3
InChIKeyYYKNZNUZGUIRSH-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.39
Rot. Bonds5

About ethyl 4-(3-phenylpropyl)piperazine-1-carboxylate

ethyl 4-(3-phenylpropyl)piperazine-1-carboxylate (PubChem CID 783518) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is ethyl 4-(3-phenylpropyl)piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-(3-phenylpropyl)piperazine-1-carboxylate
PubChem CID783518
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Nameethyl 4-(3-phenylpropyl)piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(CCCc2ccccc2)CC1
InChIInChI=1S/C16H24N2O2/c1-2-20-16(19)18-13-11-17(12-14-18)10-6-9-15-7-4-3-5-8-15/h3-5,7-8H,2,6,9-14H2,1H3
InChIKeyYYKNZNUZGUIRSH-UHFFFAOYSA-N
XLogP2.39
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-(3-phenylpropyl)piperazine-1-carboxylate?
The IUPAC name of ethyl 4-(3-phenylpropyl)piperazine-1-carboxylate (CID 783518) is ethyl 4-(3-phenylpropyl)piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-(3-phenylpropyl)piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-(3-phenylpropyl)piperazine-1-carboxylate is CCOC(=O)N1CCN(CCCc2ccccc2)CC1.
What is the InChIKey of ethyl 4-(3-phenylpropyl)piperazine-1-carboxylate?
The InChIKey is YYKNZNUZGUIRSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-2-20-16(19)18-13-11-17(12-14-18)10-6-9-15-7-4-3-5-8-15/h3-5,7-8H,2,6,9-14H2,1H3.
What are the key properties of ethyl 4-(3-phenylpropyl)piperazine-1-carboxylate?
ethyl 4-(3-phenylpropyl)piperazine-1-carboxylate has a molecular weight of 276.38 g/mol, XLogP of 2.39, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(3-phenylpropyl)piperazine-1-carboxylate is sourced from PubChem (CID 783518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).