2-cyclopropyl-1-(oxolan-3-ylmethyl)-5-phenylpiperazine

C18H26N2O — CID 64877275

IUPAC2-cyclopropyl-1-(oxolan-3-ylmethyl)-5-phenylpiperazine
SMILESc1ccc(C2CN(CC3CCOC3)C(C3CC3)CN2)cc1
InChIInChI=1S/C18H26N2O/c1-2-4-15(5-3-1)17-12-20(11-14-8-9-21-13-14)18(10-19-17)16-6-7-16/h1-5,14,16-19H,6-13H2
InChIKeyJTULNXXKJLQYEH-UHFFFAOYSA-N
MW286.42 g/mol
LogP2.45
Rot. Bonds4

About 2-cyclopropyl-1-(oxolan-3-ylmethyl)-5-phenylpiperazine

2-cyclopropyl-1-(oxolan-3-ylmethyl)-5-phenylpiperazine (PubChem CID 64877275) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is 2-cyclopropyl-1-(oxolan-3-ylmethyl)-5-phenylpiperazine.

Molecular Properties

Compound Name2-cyclopropyl-1-(oxolan-3-ylmethyl)-5-phenylpiperazine
PubChem CID64877275
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC Name2-cyclopropyl-1-(oxolan-3-ylmethyl)-5-phenylpiperazine
SMILESc1ccc(C2CN(CC3CCOC3)C(C3CC3)CN2)cc1
InChIInChI=1S/C18H26N2O/c1-2-4-15(5-3-1)17-12-20(11-14-8-9-21-13-14)18(10-19-17)16-6-7-16/h1-5,14,16-19H,6-13H2
InChIKeyJTULNXXKJLQYEH-UHFFFAOYSA-N
XLogP2.45
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-1-(oxolan-3-ylmethyl)-5-phenylpiperazine?
The IUPAC name of 2-cyclopropyl-1-(oxolan-3-ylmethyl)-5-phenylpiperazine (CID 64877275) is 2-cyclopropyl-1-(oxolan-3-ylmethyl)-5-phenylpiperazine.
What is the SMILES notation for 2-cyclopropyl-1-(oxolan-3-ylmethyl)-5-phenylpiperazine?
The canonical SMILES for 2-cyclopropyl-1-(oxolan-3-ylmethyl)-5-phenylpiperazine is c1ccc(C2CN(CC3CCOC3)C(C3CC3)CN2)cc1.
What is the InChIKey of 2-cyclopropyl-1-(oxolan-3-ylmethyl)-5-phenylpiperazine?
The InChIKey is JTULNXXKJLQYEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O/c1-2-4-15(5-3-1)17-12-20(11-14-8-9-21-13-14)18(10-19-17)16-6-7-16/h1-5,14,16-19H,6-13H2.
What are the key properties of 2-cyclopropyl-1-(oxolan-3-ylmethyl)-5-phenylpiperazine?
2-cyclopropyl-1-(oxolan-3-ylmethyl)-5-phenylpiperazine has a molecular weight of 286.42 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-1-(oxolan-3-ylmethyl)-5-phenylpiperazine is sourced from PubChem (CID 64877275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).