5-cyclopropyl-1-(1-methoxybutan-2-yl)-2-phenylpiperazine

C18H28N2O — CID 64941267

IUPAC5-cyclopropyl-1-(1-methoxybutan-2-yl)-2-phenylpiperazine
SMILESCCC(COC)N1CC(C2CC2)NCC1c1ccccc1
InChIInChI=1S/C18H28N2O/c1-3-16(13-21-2)20-12-17(14-9-10-14)19-11-18(20)15-7-5-4-6-8-15/h4-8,14,16-19H,3,9-13H2,1-2H3
InChIKeyYMNOIMXGRRECDH-UHFFFAOYSA-N
MW288.44 g/mol
LogP2.84
Rot. Bonds6

About 5-cyclopropyl-1-(1-methoxybutan-2-yl)-2-phenylpiperazine

5-cyclopropyl-1-(1-methoxybutan-2-yl)-2-phenylpiperazine (PubChem CID 64941267) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is 5-cyclopropyl-1-(1-methoxybutan-2-yl)-2-phenylpiperazine.

Molecular Properties

Compound Name5-cyclopropyl-1-(1-methoxybutan-2-yl)-2-phenylpiperazine
PubChem CID64941267
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC Name5-cyclopropyl-1-(1-methoxybutan-2-yl)-2-phenylpiperazine
SMILESCCC(COC)N1CC(C2CC2)NCC1c1ccccc1
InChIInChI=1S/C18H28N2O/c1-3-16(13-21-2)20-12-17(14-9-10-14)19-11-18(20)15-7-5-4-6-8-15/h4-8,14,16-19H,3,9-13H2,1-2H3
InChIKeyYMNOIMXGRRECDH-UHFFFAOYSA-N
XLogP2.84
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-1-(1-methoxybutan-2-yl)-2-phenylpiperazine?
The IUPAC name of 5-cyclopropyl-1-(1-methoxybutan-2-yl)-2-phenylpiperazine (CID 64941267) is 5-cyclopropyl-1-(1-methoxybutan-2-yl)-2-phenylpiperazine.
What is the SMILES notation for 5-cyclopropyl-1-(1-methoxybutan-2-yl)-2-phenylpiperazine?
The canonical SMILES for 5-cyclopropyl-1-(1-methoxybutan-2-yl)-2-phenylpiperazine is CCC(COC)N1CC(C2CC2)NCC1c1ccccc1.
What is the InChIKey of 5-cyclopropyl-1-(1-methoxybutan-2-yl)-2-phenylpiperazine?
The InChIKey is YMNOIMXGRRECDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-3-16(13-21-2)20-12-17(14-9-10-14)19-11-18(20)15-7-5-4-6-8-15/h4-8,14,16-19H,3,9-13H2,1-2H3.
What are the key properties of 5-cyclopropyl-1-(1-methoxybutan-2-yl)-2-phenylpiperazine?
5-cyclopropyl-1-(1-methoxybutan-2-yl)-2-phenylpiperazine has a molecular weight of 288.44 g/mol, XLogP of 2.84, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-1-(1-methoxybutan-2-yl)-2-phenylpiperazine is sourced from PubChem (CID 64941267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).