2-[[3-[(3-hydroxyphenoxy)methyl]piperidin-1-yl]methyl]phenol

C19H23NO3 — CID 58737652

IUPAC2-[[3-[(3-hydroxyphenoxy)methyl]piperidin-1-yl]methyl]phenol
SMILESOc1cccc(OCC2CCCN(Cc3ccccc3O)C2)c1
InChIInChI=1S/C19H23NO3/c21-17-7-3-8-18(11-17)23-14-15-5-4-10-20(12-15)13-16-6-1-2-9-19(16)22/h1-3,6-9,11,15,21-22H,4-5,10,12-14H2
InChIKeyNYYLCEWAMHBBJS-UHFFFAOYSA-N
MW313.40 g/mol
LogP3.39
Rot. Bonds5

About 2-[[3-[(3-hydroxyphenoxy)methyl]piperidin-1-yl]methyl]phenol

2-[[3-[(3-hydroxyphenoxy)methyl]piperidin-1-yl]methyl]phenol (PubChem CID 58737652) has the molecular formula C19H23NO3 and a molecular weight of 313.40 g/mol. Its IUPAC name is 2-[[3-[(3-hydroxyphenoxy)methyl]piperidin-1-yl]methyl]phenol.

Molecular Properties

Compound Name2-[[3-[(3-hydroxyphenoxy)methyl]piperidin-1-yl]methyl]phenol
PubChem CID58737652
Molecular FormulaC19H23NO3
Molecular Weight313.40 g/mol
Exact Mass313.17
IUPAC Name2-[[3-[(3-hydroxyphenoxy)methyl]piperidin-1-yl]methyl]phenol
SMILESOc1cccc(OCC2CCCN(Cc3ccccc3O)C2)c1
InChIInChI=1S/C19H23NO3/c21-17-7-3-8-18(11-17)23-14-15-5-4-10-20(12-15)13-16-6-1-2-9-19(16)22/h1-3,6-9,11,15,21-22H,4-5,10,12-14H2
InChIKeyNYYLCEWAMHBBJS-UHFFFAOYSA-N
XLogP3.39
TPSA52.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

[2-[[3-[(3-sulfooxyphenoxy)methyl]piperidin-1-yl]methyl]phenyl] hydrogen sulfate
CID 58737631
2-[[(3R)-3-aminopiperidin-1-yl]methyl]phenol
CID 24904442
4-fluoro-3-[[3-(phenoxymethyl)piperidin-1-yl]methyl]benzonitrile
CID 86972233
4-[[(3R)-3-[(3-methoxyphenoxy)methyl]piperidin-1-yl]methyl]pyridine
CID 95727874
(3R)-1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-3-[(3-methylphenoxy)methyl]piperidine
CID 95889064
4-amino-2-[[3-(methoxymethyl)piperidin-1-yl]methyl]phenol
CID 106586086
2-(3-hydroxyphenyl)-1-[(3S)-3-[(3-methoxyphenoxy)methyl]piperidin-1-yl]ethanone
CID 95894928
3-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methoxy]phenol
CID 165429389
1-pentyl-3-[(3-phenylphenoxy)methyl]piperidine
CID 54453009
3-[(3-bromophenoxy)methyl]-1-(2,2,2-trifluoroethyl)piperidine
CID 165429268
4-methoxy-2-[[3-(methylaminomethyl)piperidin-1-yl]methyl]phenol
CID 61205073
2-[[(3S)-3-[(3-methylphenoxy)methyl]piperidin-1-yl]methyl]pyridine-3-carboxylic acid
CID 95126453

Frequently Asked Questions

What is the IUPAC name of 2-[[3-[(3-hydroxyphenoxy)methyl]piperidin-1-yl]methyl]phenol?
The IUPAC name of 2-[[3-[(3-hydroxyphenoxy)methyl]piperidin-1-yl]methyl]phenol (CID 58737652) is 2-[[3-[(3-hydroxyphenoxy)methyl]piperidin-1-yl]methyl]phenol.
What is the SMILES notation for 2-[[3-[(3-hydroxyphenoxy)methyl]piperidin-1-yl]methyl]phenol?
The canonical SMILES for 2-[[3-[(3-hydroxyphenoxy)methyl]piperidin-1-yl]methyl]phenol is Oc1cccc(OCC2CCCN(Cc3ccccc3O)C2)c1.
What is the InChIKey of 2-[[3-[(3-hydroxyphenoxy)methyl]piperidin-1-yl]methyl]phenol?
The InChIKey is NYYLCEWAMHBBJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO3/c21-17-7-3-8-18(11-17)23-14-15-5-4-10-20(12-15)13-16-6-1-2-9-19(16)22/h1-3,6-9,11,15,21-22H,4-5,10,12-14H2.
What are the key properties of 2-[[3-[(3-hydroxyphenoxy)methyl]piperidin-1-yl]methyl]phenol?
2-[[3-[(3-hydroxyphenoxy)methyl]piperidin-1-yl]methyl]phenol has a molecular weight of 313.40 g/mol, XLogP of 3.39, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-[(3-hydroxyphenoxy)methyl]piperidin-1-yl]methyl]phenol is sourced from PubChem (CID 58737652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).