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

C12H19N3O — CID 59473921

IUPAC[2-amino-5-(4-methylpiperazin-1-yl)phenyl]methanol
SMILESCN1CCN(c2ccc(N)c(CO)c2)CC1
InChIInChI=1S/C12H19N3O/c1-14-4-6-15(7-5-14)11-2-3-12(13)10(8-11)9-16/h2-3,8,16H,4-7,9,13H2,1H3
InChIKeyJQRRAFRBXIITSU-UHFFFAOYSA-N
MW221.30 g/mol
LogP0.51
Rot. Bonds2

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

[2-amino-5-(4-methylpiperazin-1-yl)phenyl]methanol (PubChem CID 59473921) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is [2-amino-5-(4-methylpiperazin-1-yl)phenyl]methanol.

Molecular Properties

Compound Name[2-amino-5-(4-methylpiperazin-1-yl)phenyl]methanol
PubChem CID59473921
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name[2-amino-5-(4-methylpiperazin-1-yl)phenyl]methanol
SMILESCN1CCN(c2ccc(N)c(CO)c2)CC1
InChIInChI=1S/C12H19N3O/c1-14-4-6-15(7-5-14)11-2-3-12(13)10(8-11)9-16/h2-3,8,16H,4-7,9,13H2,1H3
InChIKeyJQRRAFRBXIITSU-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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Related Compounds

2-ethyl-5-(4-methylpiperazin-1-yl)aniline
CID 39244247
[5-(4-methylpiperazin-1-yl)-2-nitrophenyl]methanol
CID 114057772
[4-(4-methylpiperazin-1-yl)-2-methylsulfonylphenyl]methanol
CID 139564494
5-(4-methylpiperazin-1-yl)-2-methylsulfanylaniline
CID 176669325
1-(3-ethyl-4-methylphenyl)-4-methylpiperazine
CID 142939329
2-[2-amino-5-[4-(2-hydroxyethyl)piperazin-1-yl]phenyl]acetonitrile
CID 102623882
4-(4-methylpiperazin-1-yl)-2-nitroaniline
CID 58160172
4-(4-methylpiperazin-1-yl)benzene-1,2-diol
CID 84676102
2-N-methyl-4-[4-(4-methylpiperazin-1-yl)phenyl]benzene-1,2-diamine
CID 167284954
[2-chloro-4-(4-methylpiperazin-1-yl)phenyl]methanamine
CID 62945829
1-[2-amino-4-(4-methylpiperazin-1-yl)phenoxy]-2-methylpropan-2-ol
CID 171062830
4-(4-methyl-1,4-diazepan-1-yl)-2-propoxyaniline
CID 63671935

Frequently Asked Questions

What is the IUPAC name of [2-amino-5-(4-methylpiperazin-1-yl)phenyl]methanol?
The IUPAC name of [2-amino-5-(4-methylpiperazin-1-yl)phenyl]methanol (CID 59473921) is [2-amino-5-(4-methylpiperazin-1-yl)phenyl]methanol.
What is the SMILES notation for [2-amino-5-(4-methylpiperazin-1-yl)phenyl]methanol?
The canonical SMILES for [2-amino-5-(4-methylpiperazin-1-yl)phenyl]methanol is CN1CCN(c2ccc(N)c(CO)c2)CC1.
What is the InChIKey of [2-amino-5-(4-methylpiperazin-1-yl)phenyl]methanol?
The InChIKey is JQRRAFRBXIITSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-14-4-6-15(7-5-14)11-2-3-12(13)10(8-11)9-16/h2-3,8,16H,4-7,9,13H2,1H3.
What are the key properties of [2-amino-5-(4-methylpiperazin-1-yl)phenyl]methanol?
[2-amino-5-(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 [2-amino-5-(4-methylpiperazin-1-yl)phenyl]methanol is sourced from PubChem (CID 59473921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).