1-aminooxy-3-(4-methylpiperazin-1-yl)propan-2-ol

C8H19N3O2 — CID 13273131

IUPAC1-aminooxy-3-(4-methylpiperazin-1-yl)propan-2-ol
SMILESCN1CCN(CC(O)CON)CC1
InChIInChI=1S/C8H19N3O2/c1-10-2-4-11(5-3-10)6-8(12)7-13-9/h8,12H,2-7,9H2,1H3
InChIKeyYQZMHFHUHGJGMS-UHFFFAOYSA-N
MW189.26 g/mol
LogP-1.51
Rot. Bonds4

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

1-aminooxy-3-(4-methylpiperazin-1-yl)propan-2-ol (PubChem CID 13273131) has the molecular formula C8H19N3O2 and a molecular weight of 189.26 g/mol. Its IUPAC name is 1-aminooxy-3-(4-methylpiperazin-1-yl)propan-2-ol.

Molecular Properties

Compound Name1-aminooxy-3-(4-methylpiperazin-1-yl)propan-2-ol
PubChem CID13273131
Molecular FormulaC8H19N3O2
Molecular Weight189.26 g/mol
Exact Mass189.15
IUPAC Name1-aminooxy-3-(4-methylpiperazin-1-yl)propan-2-ol
SMILESCN1CCN(CC(O)CON)CC1
InChIInChI=1S/C8H19N3O2/c1-10-2-4-11(5-3-10)6-8(12)7-13-9/h8,12H,2-7,9H2,1H3
InChIKeyYQZMHFHUHGJGMS-UHFFFAOYSA-N
XLogP-1.51
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 5-1.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2S)-1-[4-[(2S)-2-hydroxy-3-(4-methylpiperazin-1-yl)propoxy]phenoxy]-3-(4-methylpiperazin-1-yl)propan-2-ol
CID 7081025
1-(4-methyl-1,4-diazepan-1-yl)-3-propan-2-yloxypropan-2-ol
CID 53369436
1-[4-(2-hydroxy-3-methoxypropyl)piperazin-1-yl]-3-methoxypropan-2-ol
CID 13310876
4-methoxy-1-(4-methylpiperazin-1-yl)butan-2-ol
CID 117236714
(2R)-1-(4-methylphenoxy)-3-(4-methylpiperazin-1-yl)propan-2-ol
CID 8741482
(2R)-1-(methylamino)-3-(4-methylpiperazin-1-yl)propan-2-ol
CID 810604
1-[2-[2-hydroxy-3-(4-methylpiperazin-1-yl)propoxy]propoxy]butan-2-ol
CID 134429316
1-(4-methylphenoxy)-3-(4-methylpiperazin-1-yl)propan-2-ol;dihydrochloride
CID 18593236
(2S)-1-(4-tert-butylphenoxy)-3-(4-methylpiperazin-1-yl)propan-2-ol
CID 780135
2-[4-[(2R)-2-hydroxy-3-propan-2-yloxypropyl]piperazin-1-yl]-1-(4-methylpiperazin-1-yl)ethanone
CID 95388910
(2R)-1-(4-methylpiperazin-1-yl)-3-[(2R)-2-phenylpropoxy]propan-2-ol
CID 7393596
4-[2-hydroxy-3-(4-methylpiperazin-1-yl)propoxy]benzoic acid
CID 3151266

Frequently Asked Questions

What is the IUPAC name of 1-aminooxy-3-(4-methylpiperazin-1-yl)propan-2-ol?
The IUPAC name of 1-aminooxy-3-(4-methylpiperazin-1-yl)propan-2-ol (CID 13273131) is 1-aminooxy-3-(4-methylpiperazin-1-yl)propan-2-ol.
What is the SMILES notation for 1-aminooxy-3-(4-methylpiperazin-1-yl)propan-2-ol?
The canonical SMILES for 1-aminooxy-3-(4-methylpiperazin-1-yl)propan-2-ol is CN1CCN(CC(O)CON)CC1.
What is the InChIKey of 1-aminooxy-3-(4-methylpiperazin-1-yl)propan-2-ol?
The InChIKey is YQZMHFHUHGJGMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N3O2/c1-10-2-4-11(5-3-10)6-8(12)7-13-9/h8,12H,2-7,9H2,1H3.
What are the key properties of 1-aminooxy-3-(4-methylpiperazin-1-yl)propan-2-ol?
1-aminooxy-3-(4-methylpiperazin-1-yl)propan-2-ol has a molecular weight of 189.26 g/mol, XLogP of -1.51, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-aminooxy-3-(4-methylpiperazin-1-yl)propan-2-ol is sourced from PubChem (CID 13273131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).