2-amino-4-[[2-(hydroxymethyl)piperidin-1-yl]methyl]phenol

C13H20N2O2 — CID 61406900

IUPAC2-amino-4-[[2-(hydroxymethyl)piperidin-1-yl]methyl]phenol
SMILESNc1cc(CN2CCCCC2CO)ccc1O
InChIInChI=1S/C13H20N2O2/c14-12-7-10(4-5-13(12)17)8-15-6-2-1-3-11(15)9-16/h4-5,7,11,16-17H,1-3,6,8-9,14H2
InChIKeyWQMYNPFPLIGMLL-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.32
Rot. Bonds3

About 2-amino-4-[[2-(hydroxymethyl)piperidin-1-yl]methyl]phenol

2-amino-4-[[2-(hydroxymethyl)piperidin-1-yl]methyl]phenol (PubChem CID 61406900) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 2-amino-4-[[2-(hydroxymethyl)piperidin-1-yl]methyl]phenol.

Molecular Properties

Compound Name2-amino-4-[[2-(hydroxymethyl)piperidin-1-yl]methyl]phenol
PubChem CID61406900
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name2-amino-4-[[2-(hydroxymethyl)piperidin-1-yl]methyl]phenol
SMILESNc1cc(CN2CCCCC2CO)ccc1O
InChIInChI=1S/C13H20N2O2/c14-12-7-10(4-5-13(12)17)8-15-6-2-1-3-11(15)9-16/h4-5,7,11,16-17H,1-3,6,8-9,14H2
InChIKeyWQMYNPFPLIGMLL-UHFFFAOYSA-N
XLogP1.32
TPSA69.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[1-[(3-amino-4-chlorophenyl)methyl]pyrrolidin-2-yl]methanol
CID 61407185
[1-[(3-aminophenyl)methyl]pyrrolidin-2-yl]methanol
CID 61407137
[(2R)-1-[(3-aminophenyl)methyl]pyrrolidin-2-yl]methanol;hydrochloride
CID 70142040
[1-[(4-amino-3-nitrophenyl)methyl]pyrrolidin-2-yl]methanol
CID 62207713
N'-hydroxy-4-[[2-(hydroxymethyl)piperidin-1-yl]methyl]benzenecarboximidamide
CID 61406545
[1-[(3-amino-5-fluorophenyl)methyl]piperidin-2-yl]methanol
CID 112645998
[1-[[4-(3-aminoprop-1-ynyl)phenyl]methyl]azepan-2-yl]methanol
CID 116637178
[1-[[4-(aminomethyl)-3-methoxyphenyl]methyl]piperidin-2-yl]methanol
CID 106785288
[1-[(3,5-dimethylphenyl)methyl]piperidin-2-yl]methanol
CID 60685146
4-[[(2R)-2-(hydroxymethyl)piperidin-1-yl]methyl]benzonitrile
CID 86319149
2-chloro-5-[(2-ethylpiperidin-1-yl)methyl]aniline
CID 43266179
3-[[2-(hydroxymethyl)azepan-1-yl]methyl]benzenecarbothioamide
CID 116634853

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-[[2-(hydroxymethyl)piperidin-1-yl]methyl]phenol?
The IUPAC name of 2-amino-4-[[2-(hydroxymethyl)piperidin-1-yl]methyl]phenol (CID 61406900) is 2-amino-4-[[2-(hydroxymethyl)piperidin-1-yl]methyl]phenol.
What is the SMILES notation for 2-amino-4-[[2-(hydroxymethyl)piperidin-1-yl]methyl]phenol?
The canonical SMILES for 2-amino-4-[[2-(hydroxymethyl)piperidin-1-yl]methyl]phenol is Nc1cc(CN2CCCCC2CO)ccc1O.
What is the InChIKey of 2-amino-4-[[2-(hydroxymethyl)piperidin-1-yl]methyl]phenol?
The InChIKey is WQMYNPFPLIGMLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c14-12-7-10(4-5-13(12)17)8-15-6-2-1-3-11(15)9-16/h4-5,7,11,16-17H,1-3,6,8-9,14H2.
What are the key properties of 2-amino-4-[[2-(hydroxymethyl)piperidin-1-yl]methyl]phenol?
2-amino-4-[[2-(hydroxymethyl)piperidin-1-yl]methyl]phenol has a molecular weight of 236.31 g/mol, XLogP of 1.32, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-[[2-(hydroxymethyl)piperidin-1-yl]methyl]phenol is sourced from PubChem (CID 61406900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).