[1-[3-(3-aminophenoxy)propyl]piperidin-2-yl]methanol

C15H24N2O2 — CID 61406719

IUPAC[1-[3-(3-aminophenoxy)propyl]piperidin-2-yl]methanol
SMILESNc1cccc(OCCCN2CCCCC2CO)c1
InChIInChI=1S/C15H24N2O2/c16-13-5-3-7-15(11-13)19-10-4-9-17-8-2-1-6-14(17)12-18/h3,5,7,11,14,18H,1-2,4,6,8-10,12,16H2
InChIKeyFPELSXDIPWGLLZ-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.88
Rot. Bonds6

About [1-[3-(3-aminophenoxy)propyl]piperidin-2-yl]methanol

[1-[3-(3-aminophenoxy)propyl]piperidin-2-yl]methanol (PubChem CID 61406719) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is [1-[3-(3-aminophenoxy)propyl]piperidin-2-yl]methanol.

Molecular Properties

Compound Name[1-[3-(3-aminophenoxy)propyl]piperidin-2-yl]methanol
PubChem CID61406719
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name[1-[3-(3-aminophenoxy)propyl]piperidin-2-yl]methanol
SMILESNc1cccc(OCCCN2CCCCC2CO)c1
InChIInChI=1S/C15H24N2O2/c16-13-5-3-7-15(11-13)19-10-4-9-17-8-2-1-6-14(17)12-18/h3,5,7,11,14,18H,1-2,4,6,8-10,12,16H2
InChIKeyFPELSXDIPWGLLZ-UHFFFAOYSA-N
XLogP1.88
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[1-[2-(3-aminophenoxy)ethyl]pyrrolidin-2-yl]propan-1-ol
CID 62466799
[1-[3-(3-tert-butylphenoxy)propyl]pyrrolidin-2-yl]methanol
CID 20619549
[1-[2-(3-fluorophenoxy)ethyl]piperidin-2-yl]methanol
CID 110892154
[1-[3-(3,4-dimethylphenoxy)propyl]azepan-2-yl]methanol
CID 116637387
[(2S)-1-(11-phenoxyundecyl)pyrrolidin-2-yl]methanol
CID 14517943
[1-[2-[4-(aminomethyl)phenoxy]ethyl]azepan-2-yl]methanol
CID 116634275
2-(1-methylpiperidin-2-yl)ethyl 2-(3-aminophenoxy)acetate
CID 107913344
N-methyl-1-[1-[3-(3-methylphenoxy)propyl]piperidin-2-yl]methanamine
CID 63250259
3-[1-[3-(3-methylphenoxy)propyl]pyrrolidin-2-yl]propan-1-ol
CID 62467990
2-[(2R)-1-[3-(3-cyanophenoxy)propyl]piperidin-2-yl]acetamide
CID 97228605
[1-[2-(4-propoxyphenoxy)ethyl]piperidin-2-yl]methanol
CID 60684684
[1-[(3-aminophenyl)methyl]pyrrolidin-2-yl]methanol
CID 61407137

Frequently Asked Questions

What is the IUPAC name of [1-[3-(3-aminophenoxy)propyl]piperidin-2-yl]methanol?
The IUPAC name of [1-[3-(3-aminophenoxy)propyl]piperidin-2-yl]methanol (CID 61406719) is [1-[3-(3-aminophenoxy)propyl]piperidin-2-yl]methanol.
What is the SMILES notation for [1-[3-(3-aminophenoxy)propyl]piperidin-2-yl]methanol?
The canonical SMILES for [1-[3-(3-aminophenoxy)propyl]piperidin-2-yl]methanol is Nc1cccc(OCCCN2CCCCC2CO)c1.
What is the InChIKey of [1-[3-(3-aminophenoxy)propyl]piperidin-2-yl]methanol?
The InChIKey is FPELSXDIPWGLLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c16-13-5-3-7-15(11-13)19-10-4-9-17-8-2-1-6-14(17)12-18/h3,5,7,11,14,18H,1-2,4,6,8-10,12,16H2.
What are the key properties of [1-[3-(3-aminophenoxy)propyl]piperidin-2-yl]methanol?
[1-[3-(3-aminophenoxy)propyl]piperidin-2-yl]methanol has a molecular weight of 264.37 g/mol, XLogP of 1.88, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[3-(3-aminophenoxy)propyl]piperidin-2-yl]methanol is sourced from PubChem (CID 61406719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).