5-cyclopropyl-2-ethyl-1-[(2-methoxyphenyl)methyl]-2-methylpiperazine

C18H28N2O — CID 64862069

IUPAC5-cyclopropyl-2-ethyl-1-[(2-methoxyphenyl)methyl]-2-methylpiperazine
SMILESCCC1(C)CNC(C2CC2)CN1Cc1ccccc1OC
InChIInChI=1S/C18H28N2O/c1-4-18(2)13-19-16(14-9-10-14)12-20(18)11-15-7-5-6-8-17(15)21-3/h5-8,14,16,19H,4,9-13H2,1-3H3
InChIKeyPSUBOFQVVBLFSR-UHFFFAOYSA-N
MW288.44 g/mol
LogP3.05
Rot. Bonds5

About 5-cyclopropyl-2-ethyl-1-[(2-methoxyphenyl)methyl]-2-methylpiperazine

5-cyclopropyl-2-ethyl-1-[(2-methoxyphenyl)methyl]-2-methylpiperazine (PubChem CID 64862069) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is 5-cyclopropyl-2-ethyl-1-[(2-methoxyphenyl)methyl]-2-methylpiperazine.

Molecular Properties

Compound Name5-cyclopropyl-2-ethyl-1-[(2-methoxyphenyl)methyl]-2-methylpiperazine
PubChem CID64862069
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC Name5-cyclopropyl-2-ethyl-1-[(2-methoxyphenyl)methyl]-2-methylpiperazine
SMILESCCC1(C)CNC(C2CC2)CN1Cc1ccccc1OC
InChIInChI=1S/C18H28N2O/c1-4-18(2)13-19-16(14-9-10-14)12-20(18)11-15-7-5-6-8-17(15)21-3/h5-8,14,16,19H,4,9-13H2,1-3H3
InChIKeyPSUBOFQVVBLFSR-UHFFFAOYSA-N
XLogP3.05
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-2-ethyl-1-[(2-methoxyphenyl)methyl]-2-methylpiperazine?
The IUPAC name of 5-cyclopropyl-2-ethyl-1-[(2-methoxyphenyl)methyl]-2-methylpiperazine (CID 64862069) is 5-cyclopropyl-2-ethyl-1-[(2-methoxyphenyl)methyl]-2-methylpiperazine.
What is the SMILES notation for 5-cyclopropyl-2-ethyl-1-[(2-methoxyphenyl)methyl]-2-methylpiperazine?
The canonical SMILES for 5-cyclopropyl-2-ethyl-1-[(2-methoxyphenyl)methyl]-2-methylpiperazine is CCC1(C)CNC(C2CC2)CN1Cc1ccccc1OC.
What is the InChIKey of 5-cyclopropyl-2-ethyl-1-[(2-methoxyphenyl)methyl]-2-methylpiperazine?
The InChIKey is PSUBOFQVVBLFSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-4-18(2)13-19-16(14-9-10-14)12-20(18)11-15-7-5-6-8-17(15)21-3/h5-8,14,16,19H,4,9-13H2,1-3H3.
What are the key properties of 5-cyclopropyl-2-ethyl-1-[(2-methoxyphenyl)methyl]-2-methylpiperazine?
5-cyclopropyl-2-ethyl-1-[(2-methoxyphenyl)methyl]-2-methylpiperazine has a molecular weight of 288.44 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-2-ethyl-1-[(2-methoxyphenyl)methyl]-2-methylpiperazine is sourced from PubChem (CID 64862069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).