1-(3-butan-2-yloxyphenyl)-2-methylpiperazine

C15H24N2O — CID 64930917

IUPAC1-(3-butan-2-yloxyphenyl)-2-methylpiperazine
SMILESCCC(C)Oc1cccc(N2CCNCC2C)c1
InChIInChI=1S/C15H24N2O/c1-4-13(3)18-15-7-5-6-14(10-15)17-9-8-16-11-12(17)2/h5-7,10,12-13,16H,4,8-9,11H2,1-3H3
InChIKeyLHHOLUSKKYRETQ-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.66
Rot. Bonds4

About 1-(3-butan-2-yloxyphenyl)-2-methylpiperazine

1-(3-butan-2-yloxyphenyl)-2-methylpiperazine (PubChem CID 64930917) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 1-(3-butan-2-yloxyphenyl)-2-methylpiperazine.

Molecular Properties

Compound Name1-(3-butan-2-yloxyphenyl)-2-methylpiperazine
PubChem CID64930917
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name1-(3-butan-2-yloxyphenyl)-2-methylpiperazine
SMILESCCC(C)Oc1cccc(N2CCNCC2C)c1
InChIInChI=1S/C15H24N2O/c1-4-13(3)18-15-7-5-6-14(10-15)17-9-8-16-11-12(17)2/h5-7,10,12-13,16H,4,8-9,11H2,1-3H3
InChIKeyLHHOLUSKKYRETQ-UHFFFAOYSA-N
XLogP2.66
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-butan-2-yloxyphenyl)-2-methylpiperazine?
The IUPAC name of 1-(3-butan-2-yloxyphenyl)-2-methylpiperazine (CID 64930917) is 1-(3-butan-2-yloxyphenyl)-2-methylpiperazine.
What is the SMILES notation for 1-(3-butan-2-yloxyphenyl)-2-methylpiperazine?
The canonical SMILES for 1-(3-butan-2-yloxyphenyl)-2-methylpiperazine is CCC(C)Oc1cccc(N2CCNCC2C)c1.
What is the InChIKey of 1-(3-butan-2-yloxyphenyl)-2-methylpiperazine?
The InChIKey is LHHOLUSKKYRETQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-4-13(3)18-15-7-5-6-14(10-15)17-9-8-16-11-12(17)2/h5-7,10,12-13,16H,4,8-9,11H2,1-3H3.
What are the key properties of 1-(3-butan-2-yloxyphenyl)-2-methylpiperazine?
1-(3-butan-2-yloxyphenyl)-2-methylpiperazine has a molecular weight of 248.37 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-butan-2-yloxyphenyl)-2-methylpiperazine is sourced from PubChem (CID 64930917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).