2-amino-4-(3-ethyl-4-methylpiperazin-1-yl)-2-methylbutan-1-ol

C12H27N3O — CID 64787261

IUPAC2-amino-4-(3-ethyl-4-methylpiperazin-1-yl)-2-methylbutan-1-ol
SMILESCCC1CN(CCC(C)(N)CO)CCN1C
InChIInChI=1S/C12H27N3O/c1-4-11-9-15(8-7-14(11)3)6-5-12(2,13)10-16/h11,16H,4-10,13H2,1-3H3
InChIKeyULSJAYVPQUTRQH-UHFFFAOYSA-N
MW229.37 g/mol
LogP0.11
Rot. Bonds5

About 2-amino-4-(3-ethyl-4-methylpiperazin-1-yl)-2-methylbutan-1-ol

2-amino-4-(3-ethyl-4-methylpiperazin-1-yl)-2-methylbutan-1-ol (PubChem CID 64787261) has the molecular formula C12H27N3O and a molecular weight of 229.37 g/mol. Its IUPAC name is 2-amino-4-(3-ethyl-4-methylpiperazin-1-yl)-2-methylbutan-1-ol.

Molecular Properties

Compound Name2-amino-4-(3-ethyl-4-methylpiperazin-1-yl)-2-methylbutan-1-ol
PubChem CID64787261
Molecular FormulaC12H27N3O
Molecular Weight229.37 g/mol
Exact Mass229.22
IUPAC Name2-amino-4-(3-ethyl-4-methylpiperazin-1-yl)-2-methylbutan-1-ol
SMILESCCC1CN(CCC(C)(N)CO)CCN1C
InChIInChI=1S/C12H27N3O/c1-4-11-9-15(8-7-14(11)3)6-5-12(2,13)10-16/h11,16H,4-10,13H2,1-3H3
InChIKeyULSJAYVPQUTRQH-UHFFFAOYSA-N
XLogP0.11
TPSA52.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.37
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(3-ethyl-4-methylpiperazin-1-yl)-2-methylbutan-1-ol?
The IUPAC name of 2-amino-4-(3-ethyl-4-methylpiperazin-1-yl)-2-methylbutan-1-ol (CID 64787261) is 2-amino-4-(3-ethyl-4-methylpiperazin-1-yl)-2-methylbutan-1-ol.
What is the SMILES notation for 2-amino-4-(3-ethyl-4-methylpiperazin-1-yl)-2-methylbutan-1-ol?
The canonical SMILES for 2-amino-4-(3-ethyl-4-methylpiperazin-1-yl)-2-methylbutan-1-ol is CCC1CN(CCC(C)(N)CO)CCN1C.
What is the InChIKey of 2-amino-4-(3-ethyl-4-methylpiperazin-1-yl)-2-methylbutan-1-ol?
The InChIKey is ULSJAYVPQUTRQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N3O/c1-4-11-9-15(8-7-14(11)3)6-5-12(2,13)10-16/h11,16H,4-10,13H2,1-3H3.
What are the key properties of 2-amino-4-(3-ethyl-4-methylpiperazin-1-yl)-2-methylbutan-1-ol?
2-amino-4-(3-ethyl-4-methylpiperazin-1-yl)-2-methylbutan-1-ol has a molecular weight of 229.37 g/mol, XLogP of 0.11, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(3-ethyl-4-methylpiperazin-1-yl)-2-methylbutan-1-ol is sourced from PubChem (CID 64787261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).