2-ethyl-1-(2-phenylcyclopropyl)-5-propan-2-ylpiperazine

C18H28N2 — CID 64936616

IUPAC2-ethyl-1-(2-phenylcyclopropyl)-5-propan-2-ylpiperazine
SMILESCCC1CNC(C(C)C)CN1C1CC1c1ccccc1
InChIInChI=1S/C18H28N2/c1-4-15-11-19-17(13(2)3)12-20(15)18-10-16(18)14-8-6-5-7-9-14/h5-9,13,15-19H,4,10-12H2,1-3H3
InChIKeyWIYFJMWXHQWXNX-UHFFFAOYSA-N
MW272.44 g/mol
LogP3.25
Rot. Bonds4

About 2-ethyl-1-(2-phenylcyclopropyl)-5-propan-2-ylpiperazine

2-ethyl-1-(2-phenylcyclopropyl)-5-propan-2-ylpiperazine (PubChem CID 64936616) has the molecular formula C18H28N2 and a molecular weight of 272.44 g/mol. Its IUPAC name is 2-ethyl-1-(2-phenylcyclopropyl)-5-propan-2-ylpiperazine.

Molecular Properties

Compound Name2-ethyl-1-(2-phenylcyclopropyl)-5-propan-2-ylpiperazine
PubChem CID64936616
Molecular FormulaC18H28N2
Molecular Weight272.44 g/mol
Exact Mass272.23
IUPAC Name2-ethyl-1-(2-phenylcyclopropyl)-5-propan-2-ylpiperazine
SMILESCCC1CNC(C(C)C)CN1C1CC1c1ccccc1
InChIInChI=1S/C18H28N2/c1-4-15-11-19-17(13(2)3)12-20(15)18-10-16(18)14-8-6-5-7-9-14/h5-9,13,15-19H,4,10-12H2,1-3H3
InChIKeyWIYFJMWXHQWXNX-UHFFFAOYSA-N
XLogP3.25
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.44
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-(2-phenylcyclopropyl)-5-propan-2-ylpiperazine?
The IUPAC name of 2-ethyl-1-(2-phenylcyclopropyl)-5-propan-2-ylpiperazine (CID 64936616) is 2-ethyl-1-(2-phenylcyclopropyl)-5-propan-2-ylpiperazine.
What is the SMILES notation for 2-ethyl-1-(2-phenylcyclopropyl)-5-propan-2-ylpiperazine?
The canonical SMILES for 2-ethyl-1-(2-phenylcyclopropyl)-5-propan-2-ylpiperazine is CCC1CNC(C(C)C)CN1C1CC1c1ccccc1.
What is the InChIKey of 2-ethyl-1-(2-phenylcyclopropyl)-5-propan-2-ylpiperazine?
The InChIKey is WIYFJMWXHQWXNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2/c1-4-15-11-19-17(13(2)3)12-20(15)18-10-16(18)14-8-6-5-7-9-14/h5-9,13,15-19H,4,10-12H2,1-3H3.
What are the key properties of 2-ethyl-1-(2-phenylcyclopropyl)-5-propan-2-ylpiperazine?
2-ethyl-1-(2-phenylcyclopropyl)-5-propan-2-ylpiperazine has a molecular weight of 272.44 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-(2-phenylcyclopropyl)-5-propan-2-ylpiperazine is sourced from PubChem (CID 64936616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).