1-(4-aminophenoxy)-3-[3-(hydroxymethyl)piperidin-1-yl]propan-2-ol

C15H24N2O3 — CID 43590041

IUPAC1-(4-aminophenoxy)-3-[3-(hydroxymethyl)piperidin-1-yl]propan-2-ol
SMILESNc1ccc(OCC(O)CN2CCCC(CO)C2)cc1
InChIInChI=1S/C15H24N2O3/c16-13-3-5-15(6-4-13)20-11-14(19)9-17-7-1-2-12(8-17)10-18/h3-6,12,14,18-19H,1-2,7-11,16H2
InChIKeyZIHGXRYFQUNSFN-UHFFFAOYSA-N
MW280.37 g/mol
LogP0.71
Rot. Bonds6

About 1-(4-aminophenoxy)-3-[3-(hydroxymethyl)piperidin-1-yl]propan-2-ol

1-(4-aminophenoxy)-3-[3-(hydroxymethyl)piperidin-1-yl]propan-2-ol (PubChem CID 43590041) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is 1-(4-aminophenoxy)-3-[3-(hydroxymethyl)piperidin-1-yl]propan-2-ol.

Molecular Properties

Compound Name1-(4-aminophenoxy)-3-[3-(hydroxymethyl)piperidin-1-yl]propan-2-ol
PubChem CID43590041
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC Name1-(4-aminophenoxy)-3-[3-(hydroxymethyl)piperidin-1-yl]propan-2-ol
SMILESNc1ccc(OCC(O)CN2CCCC(CO)C2)cc1
InChIInChI=1S/C15H24N2O3/c16-13-3-5-15(6-4-13)20-11-14(19)9-17-7-1-2-12(8-17)10-18/h3-6,12,14,18-19H,1-2,7-11,16H2
InChIKeyZIHGXRYFQUNSFN-UHFFFAOYSA-N
XLogP0.71
TPSA78.95 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 50.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 1-(4-aminophenoxy)-3-[3-(hydroxymethyl)piperidin-1-yl]propan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[3-[(4-aminophenoxy)methyl]piperidin-1-yl]-3-(4-chlorophenoxy)propan-2-ol
CID 142125033
1-(4-aminophenoxy)-3-(azocan-1-yl)propan-2-ol
CID 43364549
1-(4-aminophenoxy)-3-[3-(dimethylamino)pyrrolidin-1-yl]propan-2-ol
CID 63166051
1-(4-aminophenoxy)-3-(2-methyl-1,4-oxazepan-4-yl)propan-2-ol
CID 62987736
2-[1-[3-(4-ethylphenoxy)-2-hydroxypropyl]piperidin-3-yl]acetamide
CID 111565370
1-(4-aminophenoxy)-3-[4-(2-hydroxyethyl)piperazin-1-yl]propan-2-ol
CID 43575187
1-[3-(ethoxymethyl)piperidin-1-yl]-3-(4-fluorophenoxy)propan-2-ol
CID 111148127
(3R)-1-[(2R)-2-hydroxy-3-(4-methylphenoxy)propyl]piperidin-3-ol
CID 100835791
1-(4-aminophenoxy)-3-(4-ethylpiperazin-1-yl)propan-2-ol
CID 43364508
(2S)-1-(4-tert-butylphenoxy)-3-[3-(hydroxymethyl)azetidin-1-yl]propan-2-ol
CID 97307841
1-[3-(4-tert-butylphenoxy)-2-hydroxypropyl]piperidin-3-ol
CID 110877607
1-(4-aminophenoxy)-3-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]propan-2-ol
CID 102932193

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminophenoxy)-3-[3-(hydroxymethyl)piperidin-1-yl]propan-2-ol?
The IUPAC name of 1-(4-aminophenoxy)-3-[3-(hydroxymethyl)piperidin-1-yl]propan-2-ol (CID 43590041) is 1-(4-aminophenoxy)-3-[3-(hydroxymethyl)piperidin-1-yl]propan-2-ol.
What is the SMILES notation for 1-(4-aminophenoxy)-3-[3-(hydroxymethyl)piperidin-1-yl]propan-2-ol?
The canonical SMILES for 1-(4-aminophenoxy)-3-[3-(hydroxymethyl)piperidin-1-yl]propan-2-ol is Nc1ccc(OCC(O)CN2CCCC(CO)C2)cc1.
What is the InChIKey of 1-(4-aminophenoxy)-3-[3-(hydroxymethyl)piperidin-1-yl]propan-2-ol?
The InChIKey is ZIHGXRYFQUNSFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3/c16-13-3-5-15(6-4-13)20-11-14(19)9-17-7-1-2-12(8-17)10-18/h3-6,12,14,18-19H,1-2,7-11,16H2.
What are the key properties of 1-(4-aminophenoxy)-3-[3-(hydroxymethyl)piperidin-1-yl]propan-2-ol?
1-(4-aminophenoxy)-3-[3-(hydroxymethyl)piperidin-1-yl]propan-2-ol has a molecular weight of 280.37 g/mol, XLogP of 0.71, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminophenoxy)-3-[3-(hydroxymethyl)piperidin-1-yl]propan-2-ol is sourced from PubChem (CID 43590041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).