3-[4-(methoxymethyl)piperidin-2-yl]phenol

C13H19NO2 — CID 105477696

IUPAC3-[4-(methoxymethyl)piperidin-2-yl]phenol
SMILESCOCC1CCNC(c2cccc(O)c2)C1
InChIInChI=1S/C13H19NO2/c1-16-9-10-5-6-14-13(7-10)11-3-2-4-12(15)8-11/h2-4,8,10,13-15H,5-7,9H2,1H3
InChIKeyYAUPVOCOPMLSRN-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.08
Rot. Bonds3

About 3-[4-(methoxymethyl)piperidin-2-yl]phenol

3-[4-(methoxymethyl)piperidin-2-yl]phenol (PubChem CID 105477696) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is 3-[4-(methoxymethyl)piperidin-2-yl]phenol.

Molecular Properties

Compound Name3-[4-(methoxymethyl)piperidin-2-yl]phenol
PubChem CID105477696
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name3-[4-(methoxymethyl)piperidin-2-yl]phenol
SMILESCOCC1CCNC(c2cccc(O)c2)C1
InChIInChI=1S/C13H19NO2/c1-16-9-10-5-6-14-13(7-10)11-3-2-4-12(15)8-11/h2-4,8,10,13-15H,5-7,9H2,1H3
InChIKeyYAUPVOCOPMLSRN-UHFFFAOYSA-N
XLogP2.08
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2S)-piperidin-2-yl]phenol
CID 55277853
(2S)-4-ethyl-2-phenylpiperidine
CID 170718389
methyl (2S,4R)-2-phenylpiperidine-4-carboxylate
CID 51441743
4-[2-(methoxymethyl)piperidin-4-yl]phenol
CID 117258631
[2-(3,4-dimethylphenyl)piperidin-4-yl]methanol
CID 83917553
[(1S,2R)-2-(3-hydroxyphenyl)cyclopropyl]-[(3R)-3-(methoxymethyl)piperidin-1-yl]methanone
CID 124858444
4-(cyclopropylmethyl)-2-phenylpiperidine
CID 174205891
methyl 4-[(2R,4R)-4-ethylpiperidin-2-yl]benzoate
CID 125468766
3-(4,4-difluoropiperidin-2-yl)phenol
CID 84782688
4-[(2S,4R)-4-aminopiperidin-2-yl]phenol
CID 82656489
4-ethyl-2-(3-fluoro-5-methylphenyl)piperidine
CID 79705317
4-(3-hydroxyphenyl)-1,3-diazinan-2-one
CID 105445856

Frequently Asked Questions

What is the IUPAC name of 3-[4-(methoxymethyl)piperidin-2-yl]phenol?
The IUPAC name of 3-[4-(methoxymethyl)piperidin-2-yl]phenol (CID 105477696) is 3-[4-(methoxymethyl)piperidin-2-yl]phenol.
What is the SMILES notation for 3-[4-(methoxymethyl)piperidin-2-yl]phenol?
The canonical SMILES for 3-[4-(methoxymethyl)piperidin-2-yl]phenol is COCC1CCNC(c2cccc(O)c2)C1.
What is the InChIKey of 3-[4-(methoxymethyl)piperidin-2-yl]phenol?
The InChIKey is YAUPVOCOPMLSRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-16-9-10-5-6-14-13(7-10)11-3-2-4-12(15)8-11/h2-4,8,10,13-15H,5-7,9H2,1H3.
What are the key properties of 3-[4-(methoxymethyl)piperidin-2-yl]phenol?
3-[4-(methoxymethyl)piperidin-2-yl]phenol has a molecular weight of 221.30 g/mol, XLogP of 2.08, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(methoxymethyl)piperidin-2-yl]phenol is sourced from PubChem (CID 105477696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).