3-amino-2-(4-methylpiperazin-1-yl)hexan-1-ol

C11H25N3O — CID 114356433

IUPAC3-amino-2-(4-methylpiperazin-1-yl)hexan-1-ol
SMILESCCCC(N)C(CO)N1CCN(C)CC1
InChIInChI=1S/C11H25N3O/c1-3-4-10(12)11(9-15)14-7-5-13(2)6-8-14/h10-11,15H,3-9,12H2,1-2H3
InChIKeyVIBLCCAVXNODFT-UHFFFAOYSA-N
MW215.34 g/mol
LogP-0.28
Rot. Bonds5

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

3-amino-2-(4-methylpiperazin-1-yl)hexan-1-ol (PubChem CID 114356433) has the molecular formula C11H25N3O and a molecular weight of 215.34 g/mol. Its IUPAC name is 3-amino-2-(4-methylpiperazin-1-yl)hexan-1-ol.

Molecular Properties

Compound Name3-amino-2-(4-methylpiperazin-1-yl)hexan-1-ol
PubChem CID114356433
Molecular FormulaC11H25N3O
Molecular Weight215.34 g/mol
Exact Mass215.20
IUPAC Name3-amino-2-(4-methylpiperazin-1-yl)hexan-1-ol
SMILESCCCC(N)C(CO)N1CCN(C)CC1
InChIInChI=1S/C11H25N3O/c1-3-4-10(12)11(9-15)14-7-5-13(2)6-8-14/h10-11,15H,3-9,12H2,1-2H3
InChIKeyVIBLCCAVXNODFT-UHFFFAOYSA-N
XLogP-0.28
TPSA52.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 5-0.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(4-methylpiperazin-1-yl)hexan-1-ol?
The IUPAC name of 3-amino-2-(4-methylpiperazin-1-yl)hexan-1-ol (CID 114356433) is 3-amino-2-(4-methylpiperazin-1-yl)hexan-1-ol.
What is the SMILES notation for 3-amino-2-(4-methylpiperazin-1-yl)hexan-1-ol?
The canonical SMILES for 3-amino-2-(4-methylpiperazin-1-yl)hexan-1-ol is CCCC(N)C(CO)N1CCN(C)CC1.
What is the InChIKey of 3-amino-2-(4-methylpiperazin-1-yl)hexan-1-ol?
The InChIKey is VIBLCCAVXNODFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N3O/c1-3-4-10(12)11(9-15)14-7-5-13(2)6-8-14/h10-11,15H,3-9,12H2,1-2H3.
What are the key properties of 3-amino-2-(4-methylpiperazin-1-yl)hexan-1-ol?
3-amino-2-(4-methylpiperazin-1-yl)hexan-1-ol has a molecular weight of 215.34 g/mol, XLogP of -0.28, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(4-methylpiperazin-1-yl)hexan-1-ol is sourced from PubChem (CID 114356433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).