2-(3-hydroxyphenyl)-1-methylpiperidin-3-ol

C12H17NO2 — CID 105460356

IUPAC2-(3-hydroxyphenyl)-1-methylpiperidin-3-ol
SMILESCN1CCCC(O)C1c1cccc(O)c1
InChIInChI=1S/C12H17NO2/c1-13-7-3-6-11(15)12(13)9-4-2-5-10(14)8-9/h2,4-5,8,11-12,14-15H,3,6-7H2,1H3
InChIKeyHAJYJHUHCWZHIJ-UHFFFAOYSA-N
MW207.27 g/mol
LogP1.52
Rot. Bonds1

About 2-(3-hydroxyphenyl)-1-methylpiperidin-3-ol

2-(3-hydroxyphenyl)-1-methylpiperidin-3-ol (PubChem CID 105460356) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is 2-(3-hydroxyphenyl)-1-methylpiperidin-3-ol.

Molecular Properties

Compound Name2-(3-hydroxyphenyl)-1-methylpiperidin-3-ol
PubChem CID105460356
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name2-(3-hydroxyphenyl)-1-methylpiperidin-3-ol
SMILESCN1CCCC(O)C1c1cccc(O)c1
InChIInChI=1S/C12H17NO2/c1-13-7-3-6-11(15)12(13)9-4-2-5-10(14)8-9/h2,4-5,8,11-12,14-15H,3,6-7H2,1H3
InChIKeyHAJYJHUHCWZHIJ-UHFFFAOYSA-N
XLogP1.52
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-hydroxyphenyl)-1-propan-2-ylpyrrolidin-3-ol
CID 105477662
3-[(1S,2R)-2-hydroxycyclohexyl]phenol
CID 54021474
1-methyl-5-(3-methylphenyl)-2,3,4,4a,5,9b-hexahydroindeno[1,2-b]pyridin-7-ol
CID 22767551
1-methyl-2-(triazin-5-yl)piperidin-3-ol
CID 135386390
5-(3-fluorophenyl)-1-methyl-2,3,4,4a,5,9b-hexahydroindeno[1,2-b]pyridin-8-ol
CID 22767533
3-(3-hydroxyphenyl)-1-propylpiperidin-2-one
CID 13070741
3-[(2S,4aR,8aR)-1-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-2-yl]phenol
CID 15456351
3-[(3S)-1-butylpiperidin-3-yl]phenol
CID 12937975
(3S)-3-(3-hydroxyphenyl)-1-methylazepan-2-one
CID 86314765
3-[2-(aminomethyl)-1-methylpyrrolidin-3-yl]phenol
CID 105459318
3-[2-(1-methylpyrrolidin-2-yl)ethyl]phenol
CID 84673587
3-(1-propan-2-ylazepan-4-yl)phenol
CID 143519435

Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxyphenyl)-1-methylpiperidin-3-ol?
The IUPAC name of 2-(3-hydroxyphenyl)-1-methylpiperidin-3-ol (CID 105460356) is 2-(3-hydroxyphenyl)-1-methylpiperidin-3-ol.
What is the SMILES notation for 2-(3-hydroxyphenyl)-1-methylpiperidin-3-ol?
The canonical SMILES for 2-(3-hydroxyphenyl)-1-methylpiperidin-3-ol is CN1CCCC(O)C1c1cccc(O)c1.
What is the InChIKey of 2-(3-hydroxyphenyl)-1-methylpiperidin-3-ol?
The InChIKey is HAJYJHUHCWZHIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-13-7-3-6-11(15)12(13)9-4-2-5-10(14)8-9/h2,4-5,8,11-12,14-15H,3,6-7H2,1H3.
What are the key properties of 2-(3-hydroxyphenyl)-1-methylpiperidin-3-ol?
2-(3-hydroxyphenyl)-1-methylpiperidin-3-ol has a molecular weight of 207.27 g/mol, XLogP of 1.52, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxyphenyl)-1-methylpiperidin-3-ol is sourced from PubChem (CID 105460356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).