2-[hydroxy-(1-methylpiperidin-4-yl)methyl]phenol

C13H19NO2 — CID 83855930

IUPAC2-[hydroxy-(1-methylpiperidin-4-yl)methyl]phenol
SMILESCN1CCC(C(O)c2ccccc2O)CC1
InChIInChI=1S/C13H19NO2/c1-14-8-6-10(7-9-14)13(16)11-4-2-3-5-12(11)15/h2-5,10,13,15-16H,6-9H2,1H3
InChIKeyYHIMSNIJPLEGIY-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.77
Rot. Bonds2

About 2-[hydroxy-(1-methylpiperidin-4-yl)methyl]phenol

2-[hydroxy-(1-methylpiperidin-4-yl)methyl]phenol (PubChem CID 83855930) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is 2-[hydroxy-(1-methylpiperidin-4-yl)methyl]phenol.

Molecular Properties

Compound Name2-[hydroxy-(1-methylpiperidin-4-yl)methyl]phenol
PubChem CID83855930
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name2-[hydroxy-(1-methylpiperidin-4-yl)methyl]phenol
SMILESCN1CCC(C(O)c2ccccc2O)CC1
InChIInChI=1S/C13H19NO2/c1-14-8-6-10(7-9-14)13(16)11-4-2-3-5-12(11)15/h2-5,10,13,15-16H,6-9H2,1H3
InChIKeyYHIMSNIJPLEGIY-UHFFFAOYSA-N
XLogP1.77
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[fluoro-(1-methylpyrrolidin-3-yl)methyl]phenol
CID 83855903
2-[amino-(1-methylpyrrolidin-3-yl)methyl]phenol
CID 105459188
2-[1-[methyl-(1-methylpiperidin-4-yl)amino]propyl]phenol
CID 82975221
(2-amino-4-methylphenyl)-(1-methylpiperidin-4-yl)methanol
CID 105494977
2-[2-hydroxy-2-(1-methylpiperidin-4-yl)ethoxy]phenol
CID 117238747
2-[hydroxy(thiolan-3-yl)methyl]phenol
CID 115027036
(4-bromophenyl)-(1-methylpiperidin-4-yl)methanol
CID 58042206
2-[1-[2-(1-methylpiperidin-4-yl)ethylamino]propyl]phenol
CID 114448733
2-(2-chlorophenyl)-2-(1-methylpiperidin-4-yl)ethanol
CID 115008578
(6-chloro-2-pyridinyl)-(1-methylpiperidin-4-yl)methanol;hydrochloride
CID 51058490
(1-methylpiperidin-4-yl)methanediol
CID 21366498
(2-chlorophenyl)-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanol
CID 112680913

Frequently Asked Questions

What is the IUPAC name of 2-[hydroxy-(1-methylpiperidin-4-yl)methyl]phenol?
The IUPAC name of 2-[hydroxy-(1-methylpiperidin-4-yl)methyl]phenol (CID 83855930) is 2-[hydroxy-(1-methylpiperidin-4-yl)methyl]phenol.
What is the SMILES notation for 2-[hydroxy-(1-methylpiperidin-4-yl)methyl]phenol?
The canonical SMILES for 2-[hydroxy-(1-methylpiperidin-4-yl)methyl]phenol is CN1CCC(C(O)c2ccccc2O)CC1.
What is the InChIKey of 2-[hydroxy-(1-methylpiperidin-4-yl)methyl]phenol?
The InChIKey is YHIMSNIJPLEGIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-14-8-6-10(7-9-14)13(16)11-4-2-3-5-12(11)15/h2-5,10,13,15-16H,6-9H2,1H3.
What are the key properties of 2-[hydroxy-(1-methylpiperidin-4-yl)methyl]phenol?
2-[hydroxy-(1-methylpiperidin-4-yl)methyl]phenol has a molecular weight of 221.30 g/mol, XLogP of 1.77, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[hydroxy-(1-methylpiperidin-4-yl)methyl]phenol is sourced from PubChem (CID 83855930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).