4-(4-amino-2-methyl-5-propan-2-yloxyphenyl)-2-methoxy-6-methylpiperidine-2,6-diol

C17H28N2O4 — CID 144736293

IUPAC4-(4-amino-2-methyl-5-propan-2-yloxyphenyl)-2-methoxy-6-methylpiperidine-2,6-diol
SMILESCOC1(O)CC(c2cc(OC(C)C)c(N)cc2C)CC(C)(O)N1
InChIInChI=1S/C17H28N2O4/c1-10(2)23-15-7-13(11(3)6-14(15)18)12-8-16(4,20)19-17(21,9-12)22-5/h6-7,10,12,19-21H,8-9,18H2,1-5H3
InChIKeyOIFXDLAWXLOLED-UHFFFAOYSA-N
MW324.42 g/mol
LogP1.83
Rot. Bonds4

About 4-(4-amino-2-methyl-5-propan-2-yloxyphenyl)-2-methoxy-6-methylpiperidine-2,6-diol

4-(4-amino-2-methyl-5-propan-2-yloxyphenyl)-2-methoxy-6-methylpiperidine-2,6-diol (PubChem CID 144736293) has the molecular formula C17H28N2O4 and a molecular weight of 324.42 g/mol. Its IUPAC name is 4-(4-amino-2-methyl-5-propan-2-yloxyphenyl)-2-methoxy-6-methylpiperidine-2,6-diol.

Molecular Properties

Compound Name4-(4-amino-2-methyl-5-propan-2-yloxyphenyl)-2-methoxy-6-methylpiperidine-2,6-diol
PubChem CID144736293
Molecular FormulaC17H28N2O4
Molecular Weight324.42 g/mol
Exact Mass324.20
IUPAC Name4-(4-amino-2-methyl-5-propan-2-yloxyphenyl)-2-methoxy-6-methylpiperidine-2,6-diol
SMILESCOC1(O)CC(c2cc(OC(C)C)c(N)cc2C)CC(C)(O)N1
InChIInChI=1S/C17H28N2O4/c1-10(2)23-15-7-13(11(3)6-14(15)18)12-8-16(4,20)19-17(21,9-12)22-5/h6-7,10,12,19-21H,8-9,18H2,1-5H3
InChIKeyOIFXDLAWXLOLED-UHFFFAOYSA-N
XLogP1.83
TPSA96.97 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 51.83
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

5-methyl-2-propan-2-yloxy-4-(2,2,6,6-tetradeuteriopiperidin-4-yl)aniline
CID 121444554
5-methyl-2-propan-2-yloxy-4-(2,2,6-trideuterio-6-methylpiperidin-4-yl)aniline
CID 140843860
3-[4-(4-amino-2-methyl-5-propan-2-yloxyphenyl)piperidin-1-yl]-2,2-dimethylpropanoic acid
CID 135320625
2-propan-2-yloxy-4-(2,3,5-trimethylphenoxy)aniline
CID 83005527
4-(4-amino-2-methyl-5-propan-2-yloxyphenyl)-6-tert-butyl-2,6-dimethyl-2,5-dihydropyridine-1-carboxylic acid
CID 138678702
5-methyl-2-propan-2-yloxy-4-[(2S,6R)-1,2,6-trimethyl-3,6-dihydro-2H-pyridin-4-yl]aniline
CID 138678718
4-amino-3-propan-2-yloxyphenol
CID 69025591
2,4-dimethyl-5-propan-2-yloxyaniline;methanol
CID 167518125
4-(methoxymethyl)-2-propan-2-yloxyaniline
CID 154827606
2-cyclopropyloxy-4-(1,3-dimethylpiperidin-4-yl)-5-methylaniline;2-cyclopropyloxy-4-[2-(methoxymethyl)-1-methylpiperidin-4-yl]-5-methylaniline;ethane;4-[2-(methoxymethyl)-1-methylpiperidin-4-yl]-5-methyl-2-propan-2-yloxyaniline
CID 144966604
methyl 4-amino-5-cyclopropyl-2-propan-2-yloxybenzoate
CID 162370002
4-N-cyclopentyl-4-N-methyl-2-propan-2-yloxybenzene-1,4-diamine
CID 83002795

Frequently Asked Questions

What is the IUPAC name of 4-(4-amino-2-methyl-5-propan-2-yloxyphenyl)-2-methoxy-6-methylpiperidine-2,6-diol?
The IUPAC name of 4-(4-amino-2-methyl-5-propan-2-yloxyphenyl)-2-methoxy-6-methylpiperidine-2,6-diol (CID 144736293) is 4-(4-amino-2-methyl-5-propan-2-yloxyphenyl)-2-methoxy-6-methylpiperidine-2,6-diol.
What is the SMILES notation for 4-(4-amino-2-methyl-5-propan-2-yloxyphenyl)-2-methoxy-6-methylpiperidine-2,6-diol?
The canonical SMILES for 4-(4-amino-2-methyl-5-propan-2-yloxyphenyl)-2-methoxy-6-methylpiperidine-2,6-diol is COC1(O)CC(c2cc(OC(C)C)c(N)cc2C)CC(C)(O)N1.
What is the InChIKey of 4-(4-amino-2-methyl-5-propan-2-yloxyphenyl)-2-methoxy-6-methylpiperidine-2,6-diol?
The InChIKey is OIFXDLAWXLOLED-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O4/c1-10(2)23-15-7-13(11(3)6-14(15)18)12-8-16(4,20)19-17(21,9-12)22-5/h6-7,10,12,19-21H,8-9,18H2,1-5H3.
What are the key properties of 4-(4-amino-2-methyl-5-propan-2-yloxyphenyl)-2-methoxy-6-methylpiperidine-2,6-diol?
4-(4-amino-2-methyl-5-propan-2-yloxyphenyl)-2-methoxy-6-methylpiperidine-2,6-diol has a molecular weight of 324.42 g/mol, XLogP of 1.83, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-amino-2-methyl-5-propan-2-yloxyphenyl)-2-methoxy-6-methylpiperidine-2,6-diol is sourced from PubChem (CID 144736293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).