5-ethyl-2-phenyl-1-(pyridin-4-ylmethyl)piperazine

C18H23N3 — CID 64841963

IUPAC5-ethyl-2-phenyl-1-(pyridin-4-ylmethyl)piperazine
SMILESCCC1CN(Cc2ccncc2)C(c2ccccc2)CN1
InChIInChI=1S/C18H23N3/c1-2-17-14-21(13-15-8-10-19-11-9-15)18(12-20-17)16-6-4-3-5-7-16/h3-11,17-18,20H,2,12-14H2,1H3
InChIKeyQJBOPEIXCBLOLL-UHFFFAOYSA-N
MW281.40 g/mol
LogP3.01
Rot. Bonds4

About 5-ethyl-2-phenyl-1-(pyridin-4-ylmethyl)piperazine

5-ethyl-2-phenyl-1-(pyridin-4-ylmethyl)piperazine (PubChem CID 64841963) has the molecular formula C18H23N3 and a molecular weight of 281.40 g/mol. Its IUPAC name is 5-ethyl-2-phenyl-1-(pyridin-4-ylmethyl)piperazine.

Molecular Properties

Compound Name5-ethyl-2-phenyl-1-(pyridin-4-ylmethyl)piperazine
PubChem CID64841963
Molecular FormulaC18H23N3
Molecular Weight281.40 g/mol
Exact Mass281.19
IUPAC Name5-ethyl-2-phenyl-1-(pyridin-4-ylmethyl)piperazine
SMILESCCC1CN(Cc2ccncc2)C(c2ccccc2)CN1
InChIInChI=1S/C18H23N3/c1-2-17-14-21(13-15-8-10-19-11-9-15)18(12-20-17)16-6-4-3-5-7-16/h3-11,17-18,20H,2,12-14H2,1H3
InChIKeyQJBOPEIXCBLOLL-UHFFFAOYSA-N
XLogP3.01
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-phenyl-1-(pyridin-4-ylmethyl)piperazine?
The IUPAC name of 5-ethyl-2-phenyl-1-(pyridin-4-ylmethyl)piperazine (CID 64841963) is 5-ethyl-2-phenyl-1-(pyridin-4-ylmethyl)piperazine.
What is the SMILES notation for 5-ethyl-2-phenyl-1-(pyridin-4-ylmethyl)piperazine?
The canonical SMILES for 5-ethyl-2-phenyl-1-(pyridin-4-ylmethyl)piperazine is CCC1CN(Cc2ccncc2)C(c2ccccc2)CN1.
What is the InChIKey of 5-ethyl-2-phenyl-1-(pyridin-4-ylmethyl)piperazine?
The InChIKey is QJBOPEIXCBLOLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3/c1-2-17-14-21(13-15-8-10-19-11-9-15)18(12-20-17)16-6-4-3-5-7-16/h3-11,17-18,20H,2,12-14H2,1H3.
What are the key properties of 5-ethyl-2-phenyl-1-(pyridin-4-ylmethyl)piperazine?
5-ethyl-2-phenyl-1-(pyridin-4-ylmethyl)piperazine has a molecular weight of 281.40 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-phenyl-1-(pyridin-4-ylmethyl)piperazine is sourced from PubChem (CID 64841963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).