1-[2-amino-4-(4-methylpiperazin-1-yl)phenoxy]-2-methylpropan-2-ol

C15H25N3O2 — CID 171062830

IUPAC1-[2-amino-4-(4-methylpiperazin-1-yl)phenoxy]-2-methylpropan-2-ol
SMILESCN1CCN(c2ccc(OCC(C)(C)O)c(N)c2)CC1
InChIInChI=1S/C15H25N3O2/c1-15(2,19)11-20-14-5-4-12(10-13(14)16)18-8-6-17(3)7-9-18/h4-5,10,19H,6-9,11,16H2,1-3H3
InChIKeyKVNPFRGXBZRFCZ-UHFFFAOYSA-N
MW279.38 g/mol
LogP1.17
Rot. Bonds4

About 1-[2-amino-4-(4-methylpiperazin-1-yl)phenoxy]-2-methylpropan-2-ol

1-[2-amino-4-(4-methylpiperazin-1-yl)phenoxy]-2-methylpropan-2-ol (PubChem CID 171062830) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is 1-[2-amino-4-(4-methylpiperazin-1-yl)phenoxy]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[2-amino-4-(4-methylpiperazin-1-yl)phenoxy]-2-methylpropan-2-ol
PubChem CID171062830
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC Name1-[2-amino-4-(4-methylpiperazin-1-yl)phenoxy]-2-methylpropan-2-ol
SMILESCN1CCN(c2ccc(OCC(C)(C)O)c(N)c2)CC1
InChIInChI=1S/C15H25N3O2/c1-15(2,19)11-20-14-5-4-12(10-13(14)16)18-8-6-17(3)7-9-18/h4-5,10,19H,6-9,11,16H2,1-3H3
InChIKeyKVNPFRGXBZRFCZ-UHFFFAOYSA-N
XLogP1.17
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', '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
[2-amino-5-(4-methylpiperazin-1-yl)phenyl]methanol
CID 59473921
[2-amino-5-(4-methylpiperazin-1-yl)phenyl] N-tert-butylcarbamate
CID 156540244
1-(4-tert-butyl-3-ethoxyphenyl)-4-methylpiperazine
CID 90381204
1-(3,4-dimethoxyphenyl)-4-methylpiperazine
CID 21363782
5-(4-methylpiperazin-1-yl)-2-methylsulfanylaniline
CID 176669325
4-(4-methyl-1,4-diazepan-1-yl)-2-propoxyaniline
CID 63671935
1-[3-ethyl-4-(trifluoromethoxy)phenyl]-4-methylpiperazine
CID 143781456
5-(4-methylpiperazin-1-yl)-2-propan-2-ylsulfonylaniline
CID 97046861
4-(3-amino-4-methoxyphenyl)piperazine-1-carboxylic acid
CID 123559736
2-amino-N-methyl-4-(4-methylpiperazin-1-yl)benzenesulfonamide
CID 80645856
3-(2-amino-4-piperazin-1-ylphenoxy)propyl acetate
CID 172562086

Frequently Asked Questions

What is the IUPAC name of 1-[2-amino-4-(4-methylpiperazin-1-yl)phenoxy]-2-methylpropan-2-ol?
The IUPAC name of 1-[2-amino-4-(4-methylpiperazin-1-yl)phenoxy]-2-methylpropan-2-ol (CID 171062830) is 1-[2-amino-4-(4-methylpiperazin-1-yl)phenoxy]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[2-amino-4-(4-methylpiperazin-1-yl)phenoxy]-2-methylpropan-2-ol?
The canonical SMILES for 1-[2-amino-4-(4-methylpiperazin-1-yl)phenoxy]-2-methylpropan-2-ol is CN1CCN(c2ccc(OCC(C)(C)O)c(N)c2)CC1.
What is the InChIKey of 1-[2-amino-4-(4-methylpiperazin-1-yl)phenoxy]-2-methylpropan-2-ol?
The InChIKey is KVNPFRGXBZRFCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-15(2,19)11-20-14-5-4-12(10-13(14)16)18-8-6-17(3)7-9-18/h4-5,10,19H,6-9,11,16H2,1-3H3.
What are the key properties of 1-[2-amino-4-(4-methylpiperazin-1-yl)phenoxy]-2-methylpropan-2-ol?
1-[2-amino-4-(4-methylpiperazin-1-yl)phenoxy]-2-methylpropan-2-ol has a molecular weight of 279.38 g/mol, XLogP of 1.17, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-amino-4-(4-methylpiperazin-1-yl)phenoxy]-2-methylpropan-2-ol is sourced from PubChem (CID 171062830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).