4-[5-(pyridin-3-ylmethoxymethyl)piperidin-3-yl]phenol

C18H22N2O2 — CID 10125535

IUPAC4-[5-(pyridin-3-ylmethoxymethyl)piperidin-3-yl]phenol
SMILESOc1ccc(C2CNCC(COCc3cccnc3)C2)cc1
InChIInChI=1S/C18H22N2O2/c21-18-5-3-16(4-6-18)17-8-15(10-20-11-17)13-22-12-14-2-1-7-19-9-14/h1-7,9,15,17,20-21H,8,10-13H2
InChIKeyUQKRYQGXOUOZOI-UHFFFAOYSA-N
MW298.39 g/mol
LogP2.70
Rot. Bonds5

About 4-[5-(pyridin-3-ylmethoxymethyl)piperidin-3-yl]phenol

4-[5-(pyridin-3-ylmethoxymethyl)piperidin-3-yl]phenol (PubChem CID 10125535) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is 4-[5-(pyridin-3-ylmethoxymethyl)piperidin-3-yl]phenol.

Molecular Properties

Compound Name4-[5-(pyridin-3-ylmethoxymethyl)piperidin-3-yl]phenol
PubChem CID10125535
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC Name4-[5-(pyridin-3-ylmethoxymethyl)piperidin-3-yl]phenol
SMILESOc1ccc(C2CNCC(COCc3cccnc3)C2)cc1
InChIInChI=1S/C18H22N2O2/c21-18-5-3-16(4-6-18)17-8-15(10-20-11-17)13-22-12-14-2-1-7-19-9-14/h1-7,9,15,17,20-21H,8,10-13H2
InChIKeyUQKRYQGXOUOZOI-UHFFFAOYSA-N
XLogP2.70
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(oxiran-2-ylmethoxymethyl)pyridine
CID 23054420
4-(pyridin-3-ylmethyl)phenol;hydrochloride
CID 13290136
8-(pyridin-3-ylmethoxymethyl)-5-oxa-2-azaspiro[3.4]octane
CID 133139485
trimethyl(pyridin-3-ylmethoxy)silane
CID 11063032
1-methyl-7-(pyridin-3-ylmethoxymethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine;dihydrochloride
CID 155868535
3-[3-(piperidin-4-ylmethoxy)propyl]pyridine
CID 44784866
5-methyl-8-(pyridin-3-ylmethoxymethyl)-2-(pyridin-3-ylmethyl)-2,5-diazaspiro[3.5]nonane
CID 131644582
3-[[(3R)-pyrrolidin-3-yl]oxymethyl]pyridine;dihydrochloride
CID 66987447
2-piperidin-3-yl-N-(pyridin-3-ylmethyl)acetamide
CID 62675411
(4aR,6R,7aR)-N,N-dimethyl-6-(pyridin-3-ylmethoxymethyl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine-4-carboxamide
CID 97403816
3-(3,3-dimethylbutoxymethyl)pyridine
CID 154991745
(3R)-3-(phenylmethoxymethyl)pyrrolidine
CID 26192483

Frequently Asked Questions

What is the IUPAC name of 4-[5-(pyridin-3-ylmethoxymethyl)piperidin-3-yl]phenol?
The IUPAC name of 4-[5-(pyridin-3-ylmethoxymethyl)piperidin-3-yl]phenol (CID 10125535) is 4-[5-(pyridin-3-ylmethoxymethyl)piperidin-3-yl]phenol.
What is the SMILES notation for 4-[5-(pyridin-3-ylmethoxymethyl)piperidin-3-yl]phenol?
The canonical SMILES for 4-[5-(pyridin-3-ylmethoxymethyl)piperidin-3-yl]phenol is Oc1ccc(C2CNCC(COCc3cccnc3)C2)cc1.
What is the InChIKey of 4-[5-(pyridin-3-ylmethoxymethyl)piperidin-3-yl]phenol?
The InChIKey is UQKRYQGXOUOZOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2/c21-18-5-3-16(4-6-18)17-8-15(10-20-11-17)13-22-12-14-2-1-7-19-9-14/h1-7,9,15,17,20-21H,8,10-13H2.
What are the key properties of 4-[5-(pyridin-3-ylmethoxymethyl)piperidin-3-yl]phenol?
4-[5-(pyridin-3-ylmethoxymethyl)piperidin-3-yl]phenol has a molecular weight of 298.39 g/mol, XLogP of 2.70, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(pyridin-3-ylmethoxymethyl)piperidin-3-yl]phenol is sourced from PubChem (CID 10125535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).