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

C15H24N2O3 — CID 61406761

IUPAC1-(2-aminophenoxy)-3-[2-(hydroxymethyl)piperidin-1-yl]propan-2-ol
SMILESNc1ccccc1OCC(O)CN1CCCCC1CO
InChIInChI=1S/C15H24N2O3/c16-14-6-1-2-7-15(14)20-11-13(19)9-17-8-4-3-5-12(17)10-18/h1-2,6-7,12-13,18-19H,3-5,8-11,16H2
InChIKeyHTCCVIYOZOGDIV-UHFFFAOYSA-N
MW280.37 g/mol
LogP0.86
Rot. Bonds6

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

1-(2-aminophenoxy)-3-[2-(hydroxymethyl)piperidin-1-yl]propan-2-ol (PubChem CID 61406761) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is 1-(2-aminophenoxy)-3-[2-(hydroxymethyl)piperidin-1-yl]propan-2-ol.

Molecular Properties

Compound Name1-(2-aminophenoxy)-3-[2-(hydroxymethyl)piperidin-1-yl]propan-2-ol
PubChem CID61406761
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC Name1-(2-aminophenoxy)-3-[2-(hydroxymethyl)piperidin-1-yl]propan-2-ol
SMILESNc1ccccc1OCC(O)CN1CCCCC1CO
InChIInChI=1S/C15H24N2O3/c16-14-6-1-2-7-15(14)20-11-13(19)9-17-8-4-3-5-12(17)10-18/h1-2,6-7,12-13,18-19H,3-5,8-11,16H2
InChIKeyHTCCVIYOZOGDIV-UHFFFAOYSA-N
XLogP0.86
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 ≤ 50.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-[2-(hydroxymethyl)pyrrolidin-1-yl]-3-naphthalen-1-yloxypropan-2-ol
CID 111103265
1-(2-aminophenoxy)-3-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]propan-2-ol
CID 102777704
1-(2-aminophenoxy)-3-pyrrolidin-1-ylpropan-2-ol
CID 43364467
(2S)-1-[(2R)-2-(hydroxymethyl)piperidin-1-yl]-3-[(2-methoxyphenyl)methoxy]propan-2-ol
CID 11923360
1-(4-chlorophenoxy)-3-[2-(hydroxymethyl)piperidin-1-yl]propan-2-ol chloride
CID 21236718
1-(4-chlorophenoxy)-3-[2-(hydroxymethyl)piperidin-1-yl]propan-2-ol;hydrochloride
CID 44782330
1-[(2-fluorophenyl)methoxy]-3-[2-(hydroxymethyl)piperidin-1-yl]propan-2-ol
CID 110877558
1-(4-bromophenoxy)-3-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]propan-2-ol
CID 110921512
(2S)-1-(2-chlorophenoxy)-3-[(2S)-2-methylpiperidin-1-yl]propan-2-ol
CID 51422995
1-(2-benzylpyrrolidin-1-yl)-3-(2-methylphenoxy)propan-2-ol
CID 134033749
(2S)-1-[(2S)-2-(hydroxymethyl)piperidin-1-yl]-3-(3-nitrophenoxy)propan-2-ol
CID 7998318
1-[2-(hydroxymethyl)piperidin-1-yl]-3-propan-2-yloxypropan-2-ol
CID 60635453

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminophenoxy)-3-[2-(hydroxymethyl)piperidin-1-yl]propan-2-ol?
The IUPAC name of 1-(2-aminophenoxy)-3-[2-(hydroxymethyl)piperidin-1-yl]propan-2-ol (CID 61406761) is 1-(2-aminophenoxy)-3-[2-(hydroxymethyl)piperidin-1-yl]propan-2-ol.
What is the SMILES notation for 1-(2-aminophenoxy)-3-[2-(hydroxymethyl)piperidin-1-yl]propan-2-ol?
The canonical SMILES for 1-(2-aminophenoxy)-3-[2-(hydroxymethyl)piperidin-1-yl]propan-2-ol is Nc1ccccc1OCC(O)CN1CCCCC1CO.
What is the InChIKey of 1-(2-aminophenoxy)-3-[2-(hydroxymethyl)piperidin-1-yl]propan-2-ol?
The InChIKey is HTCCVIYOZOGDIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3/c16-14-6-1-2-7-15(14)20-11-13(19)9-17-8-4-3-5-12(17)10-18/h1-2,6-7,12-13,18-19H,3-5,8-11,16H2.
What are the key properties of 1-(2-aminophenoxy)-3-[2-(hydroxymethyl)piperidin-1-yl]propan-2-ol?
1-(2-aminophenoxy)-3-[2-(hydroxymethyl)piperidin-1-yl]propan-2-ol has a molecular weight of 280.37 g/mol, XLogP of 0.86, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminophenoxy)-3-[2-(hydroxymethyl)piperidin-1-yl]propan-2-ol is sourced from PubChem (CID 61406761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).