1-amino-2-methyl-3-(4-methylpiperazin-1-yl)propan-2-ol

C9H21N3O — CID 64819199

IUPAC1-amino-2-methyl-3-(4-methylpiperazin-1-yl)propan-2-ol
SMILESCN1CCN(CC(C)(O)CN)CC1
InChIInChI=1S/C9H21N3O/c1-9(13,7-10)8-12-5-3-11(2)4-6-12/h13H,3-8,10H2,1-2H3
InChIKeyFVCSHTMRZQAFQY-UHFFFAOYSA-N
MW187.29 g/mol
LogP-1.06
Rot. Bonds3

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

1-amino-2-methyl-3-(4-methylpiperazin-1-yl)propan-2-ol (PubChem CID 64819199) has the molecular formula C9H21N3O and a molecular weight of 187.29 g/mol. Its IUPAC name is 1-amino-2-methyl-3-(4-methylpiperazin-1-yl)propan-2-ol.

Molecular Properties

Compound Name1-amino-2-methyl-3-(4-methylpiperazin-1-yl)propan-2-ol
PubChem CID64819199
Molecular FormulaC9H21N3O
Molecular Weight187.29 g/mol
Exact Mass187.17
IUPAC Name1-amino-2-methyl-3-(4-methylpiperazin-1-yl)propan-2-ol
SMILESCN1CCN(CC(C)(O)CN)CC1
InChIInChI=1S/C9H21N3O/c1-9(13,7-10)8-12-5-3-11(2)4-6-12/h13H,3-8,10H2,1-2H3
InChIKeyFVCSHTMRZQAFQY-UHFFFAOYSA-N
XLogP-1.06
TPSA52.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.29
LogP ≤ 5-1.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-amino-2-methyl-3-(4-methylpiperazin-1-yl)propan-2-ol?
The IUPAC name of 1-amino-2-methyl-3-(4-methylpiperazin-1-yl)propan-2-ol (CID 64819199) is 1-amino-2-methyl-3-(4-methylpiperazin-1-yl)propan-2-ol.
What is the SMILES notation for 1-amino-2-methyl-3-(4-methylpiperazin-1-yl)propan-2-ol?
The canonical SMILES for 1-amino-2-methyl-3-(4-methylpiperazin-1-yl)propan-2-ol is CN1CCN(CC(C)(O)CN)CC1.
What is the InChIKey of 1-amino-2-methyl-3-(4-methylpiperazin-1-yl)propan-2-ol?
The InChIKey is FVCSHTMRZQAFQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N3O/c1-9(13,7-10)8-12-5-3-11(2)4-6-12/h13H,3-8,10H2,1-2H3.
What are the key properties of 1-amino-2-methyl-3-(4-methylpiperazin-1-yl)propan-2-ol?
1-amino-2-methyl-3-(4-methylpiperazin-1-yl)propan-2-ol has a molecular weight of 187.29 g/mol, XLogP of -1.06, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-methyl-3-(4-methylpiperazin-1-yl)propan-2-ol is sourced from PubChem (CID 64819199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).