[5-amino-2-(4-methylpiperazin-1-yl)phenyl]methanol

C12H19N3O — CID 36995517

IUPAC[5-amino-2-(4-methylpiperazin-1-yl)phenyl]methanol
SMILESCN1CCN(c2ccc(N)cc2CO)CC1
InChIInChI=1S/C12H19N3O/c1-14-4-6-15(7-5-14)12-3-2-11(13)8-10(12)9-16/h2-3,8,16H,4-7,9,13H2,1H3
InChIKeyRJIWXFXUGNZHKX-UHFFFAOYSA-N
MW221.30 g/mol
LogP0.51
Rot. Bonds2

About [5-amino-2-(4-methylpiperazin-1-yl)phenyl]methanol

[5-amino-2-(4-methylpiperazin-1-yl)phenyl]methanol (PubChem CID 36995517) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is [5-amino-2-(4-methylpiperazin-1-yl)phenyl]methanol.

Molecular Properties

Compound Name[5-amino-2-(4-methylpiperazin-1-yl)phenyl]methanol
PubChem CID36995517
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name[5-amino-2-(4-methylpiperazin-1-yl)phenyl]methanol
SMILESCN1CCN(c2ccc(N)cc2CO)CC1
InChIInChI=1S/C12H19N3O/c1-14-4-6-15(7-5-14)12-3-2-11(13)8-10(12)9-16/h2-3,8,16H,4-7,9,13H2,1H3
InChIKeyRJIWXFXUGNZHKX-UHFFFAOYSA-N
XLogP0.51
TPSA52.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [5-amino-2-(4-methylpiperazin-1-yl)phenyl]methanol?
The IUPAC name of [5-amino-2-(4-methylpiperazin-1-yl)phenyl]methanol (CID 36995517) is [5-amino-2-(4-methylpiperazin-1-yl)phenyl]methanol.
What is the SMILES notation for [5-amino-2-(4-methylpiperazin-1-yl)phenyl]methanol?
The canonical SMILES for [5-amino-2-(4-methylpiperazin-1-yl)phenyl]methanol is CN1CCN(c2ccc(N)cc2CO)CC1.
What is the InChIKey of [5-amino-2-(4-methylpiperazin-1-yl)phenyl]methanol?
The InChIKey is RJIWXFXUGNZHKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-14-4-6-15(7-5-14)12-3-2-11(13)8-10(12)9-16/h2-3,8,16H,4-7,9,13H2,1H3.
What are the key properties of [5-amino-2-(4-methylpiperazin-1-yl)phenyl]methanol?
[5-amino-2-(4-methylpiperazin-1-yl)phenyl]methanol has a molecular weight of 221.30 g/mol, XLogP of 0.51, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-amino-2-(4-methylpiperazin-1-yl)phenyl]methanol is sourced from PubChem (CID 36995517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).