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

C13H19NO2 — CID 117258631

IUPAC4-[2-(methoxymethyl)piperidin-4-yl]phenol
SMILESCOCC1CC(c2ccc(O)cc2)CCN1
InChIInChI=1S/C13H19NO2/c1-16-9-12-8-11(6-7-14-12)10-2-4-13(15)5-3-10/h2-5,11-12,14-15H,6-9H2,1H3
InChIKeyPRRXAKVYLCTYOZ-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.87
Rot. Bonds3

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

4-[2-(methoxymethyl)piperidin-4-yl]phenol (PubChem CID 117258631) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is 4-[2-(methoxymethyl)piperidin-4-yl]phenol.

Molecular Properties

Compound Name4-[2-(methoxymethyl)piperidin-4-yl]phenol
PubChem CID117258631
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name4-[2-(methoxymethyl)piperidin-4-yl]phenol
SMILESCOCC1CC(c2ccc(O)cc2)CCN1
InChIInChI=1S/C13H19NO2/c1-16-9-12-8-11(6-7-14-12)10-2-4-13(15)5-3-10/h2-5,11-12,14-15H,6-9H2,1H3
InChIKeyPRRXAKVYLCTYOZ-UHFFFAOYSA-N
XLogP1.87
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 ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-bromophenyl)-2-(methoxymethyl)piperidine
CID 117258595
(4-pyridin-4-ylpiperidin-2-yl)methanol
CID 117258661
4-(4-methoxyphenyl)-2-(methylsulfonylmethyl)piperidine
CID 141152602
4-[(2S,4R)-4-methylpiperidin-2-yl]phenol
CID 138627789
2-(4-fluorophenyl)-3-(methoxymethyl)pyrrolidine
CID 105463019
2-(methoxymethyl)azetidine
CID 58227482
3-[4-(methoxymethyl)piperidin-2-yl]phenol
CID 105477696
2-(4-chlorophenyl)-3-(methoxymethyl)pyrrolidine
CID 105483527
4-(azetidin-2-ylmethoxy)phenol
CID 115070936
4-[(2S,4R)-4-aminopiperidin-2-yl]phenol
CID 82656489
4-cyclohexyl-2-(methoxymethyl)piperidine
CID 117258650
bis((2S)-2-(methoxymethyl)azetidine);oxalic acid
CID 91826002

Frequently Asked Questions

What is the IUPAC name of 4-[2-(methoxymethyl)piperidin-4-yl]phenol?
The IUPAC name of 4-[2-(methoxymethyl)piperidin-4-yl]phenol (CID 117258631) is 4-[2-(methoxymethyl)piperidin-4-yl]phenol.
What is the SMILES notation for 4-[2-(methoxymethyl)piperidin-4-yl]phenol?
The canonical SMILES for 4-[2-(methoxymethyl)piperidin-4-yl]phenol is COCC1CC(c2ccc(O)cc2)CCN1.
What is the InChIKey of 4-[2-(methoxymethyl)piperidin-4-yl]phenol?
The InChIKey is PRRXAKVYLCTYOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-16-9-12-8-11(6-7-14-12)10-2-4-13(15)5-3-10/h2-5,11-12,14-15H,6-9H2,1H3.
What are the key properties of 4-[2-(methoxymethyl)piperidin-4-yl]phenol?
4-[2-(methoxymethyl)piperidin-4-yl]phenol has a molecular weight of 221.30 g/mol, XLogP of 1.87, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(methoxymethyl)piperidin-4-yl]phenol is sourced from PubChem (CID 117258631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).