4-cyclopropyl-1-[(4-ethoxy-2-methyl-5-propan-2-ylphenyl)methyl]-2-methylpiperazine

C21H34N2O — CID 157019220

IUPAC4-cyclopropyl-1-[(4-ethoxy-2-methyl-5-propan-2-ylphenyl)methyl]-2-methylpiperazine
SMILESCCOc1cc(C)c(CN2CCN(C3CC3)CC2C)cc1C(C)C
InChIInChI=1S/C21H34N2O/c1-6-24-21-11-16(4)18(12-20(21)15(2)3)14-22-9-10-23(13-17(22)5)19-7-8-19/h11-12,15,17,19H,6-10,13-14H2,1-5H3
InChIKeyUIIBQGSYNQBISH-UHFFFAOYSA-N
MW330.52 g/mol
LogP4.19
Rot. Bonds6

About 4-cyclopropyl-1-[(4-ethoxy-2-methyl-5-propan-2-ylphenyl)methyl]-2-methylpiperazine

4-cyclopropyl-1-[(4-ethoxy-2-methyl-5-propan-2-ylphenyl)methyl]-2-methylpiperazine (PubChem CID 157019220) has the molecular formula C21H34N2O and a molecular weight of 330.52 g/mol. Its IUPAC name is 4-cyclopropyl-1-[(4-ethoxy-2-methyl-5-propan-2-ylphenyl)methyl]-2-methylpiperazine.

Molecular Properties

Compound Name4-cyclopropyl-1-[(4-ethoxy-2-methyl-5-propan-2-ylphenyl)methyl]-2-methylpiperazine
PubChem CID157019220
Molecular FormulaC21H34N2O
Molecular Weight330.52 g/mol
Exact Mass330.27
IUPAC Name4-cyclopropyl-1-[(4-ethoxy-2-methyl-5-propan-2-ylphenyl)methyl]-2-methylpiperazine
SMILESCCOc1cc(C)c(CN2CCN(C3CC3)CC2C)cc1C(C)C
InChIInChI=1S/C21H34N2O/c1-6-24-21-11-16(4)18(12-20(21)15(2)3)14-22-9-10-23(13-17(22)5)19-7-8-19/h11-12,15,17,19H,6-10,13-14H2,1-5H3
InChIKeyUIIBQGSYNQBISH-UHFFFAOYSA-N
XLogP4.19
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.52
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-1-[(4-ethoxy-2-methyl-5-propan-2-ylphenyl)methyl]-2-methylpiperazine?
The IUPAC name of 4-cyclopropyl-1-[(4-ethoxy-2-methyl-5-propan-2-ylphenyl)methyl]-2-methylpiperazine (CID 157019220) is 4-cyclopropyl-1-[(4-ethoxy-2-methyl-5-propan-2-ylphenyl)methyl]-2-methylpiperazine.
What is the SMILES notation for 4-cyclopropyl-1-[(4-ethoxy-2-methyl-5-propan-2-ylphenyl)methyl]-2-methylpiperazine?
The canonical SMILES for 4-cyclopropyl-1-[(4-ethoxy-2-methyl-5-propan-2-ylphenyl)methyl]-2-methylpiperazine is CCOc1cc(C)c(CN2CCN(C3CC3)CC2C)cc1C(C)C.
What is the InChIKey of 4-cyclopropyl-1-[(4-ethoxy-2-methyl-5-propan-2-ylphenyl)methyl]-2-methylpiperazine?
The InChIKey is UIIBQGSYNQBISH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34N2O/c1-6-24-21-11-16(4)18(12-20(21)15(2)3)14-22-9-10-23(13-17(22)5)19-7-8-19/h11-12,15,17,19H,6-10,13-14H2,1-5H3.
What are the key properties of 4-cyclopropyl-1-[(4-ethoxy-2-methyl-5-propan-2-ylphenyl)methyl]-2-methylpiperazine?
4-cyclopropyl-1-[(4-ethoxy-2-methyl-5-propan-2-ylphenyl)methyl]-2-methylpiperazine has a molecular weight of 330.52 g/mol, XLogP of 4.19, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-1-[(4-ethoxy-2-methyl-5-propan-2-ylphenyl)methyl]-2-methylpiperazine is sourced from PubChem (CID 157019220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).