3-[1-(1-methylpiperidin-2-yl)ethoxy]phenol

C14H21NO2 — CID 117095443

IUPAC3-[1-(1-methylpiperidin-2-yl)ethoxy]phenol
SMILESCC(Oc1cccc(O)c1)C1CCCCN1C
InChIInChI=1S/C14H21NO2/c1-11(14-8-3-4-9-15(14)2)17-13-7-5-6-12(16)10-13/h5-7,10-11,14,16H,3-4,8-9H2,1-2H3
InChIKeyCYHXJJGEPHUKAT-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.64
Rot. Bonds3

About 3-[1-(1-methylpiperidin-2-yl)ethoxy]phenol

3-[1-(1-methylpiperidin-2-yl)ethoxy]phenol (PubChem CID 117095443) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 3-[1-(1-methylpiperidin-2-yl)ethoxy]phenol.

Molecular Properties

Compound Name3-[1-(1-methylpiperidin-2-yl)ethoxy]phenol
PubChem CID117095443
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name3-[1-(1-methylpiperidin-2-yl)ethoxy]phenol
SMILESCC(Oc1cccc(O)c1)C1CCCCN1C
InChIInChI=1S/C14H21NO2/c1-11(14-8-3-4-9-15(14)2)17-13-7-5-6-12(16)10-13/h5-7,10-11,14,16H,3-4,8-9H2,1-2H3
InChIKeyCYHXJJGEPHUKAT-UHFFFAOYSA-N
XLogP2.64
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(S)-[(2S)-1-methylpiperidin-2-yl]-phenylmethyl]phenol
CID 129360203
[4-[1-(1-methylpiperidin-2-yl)ethoxy]phenyl]methanamine
CID 117052607
3-amino-4-[1-(1-methylpiperidin-2-yl)ethoxy]benzoic acid
CID 117095889
3-[1-(azetidin-3-yl)ethoxy]phenol
CID 105447139
tert-butyl 2-[1-(3-phenoxyphenoxy)ethyl]piperidine-1-carboxylate
CID 69000587
benzene-1,3-diol;3-propan-2-yloxyphenol
CID 159090607
[2-(1-phenoxyethyl)piperidin-1-yl]-phenylmethanone
CID 90696413
3-(3-hydroxybutan-2-yloxy)phenol
CID 77394204
2-(4-fluorophenyl)-1-[[4-[1-(1-methylpyrrolidin-2-yl)ethoxy]phenyl]methyl]-3,4-dihydro-1H-isoquinolin-6-ol
CID 23440905
3-piperidin-1-yloxyphenol
CID 70616281
3-but-3-en-2-yloxyphenol
CID 62384342
[(2S)-1-methylpiperidin-2-yl]-phenylmethanol
CID 67164631

Frequently Asked Questions

What is the IUPAC name of 3-[1-(1-methylpiperidin-2-yl)ethoxy]phenol?
The IUPAC name of 3-[1-(1-methylpiperidin-2-yl)ethoxy]phenol (CID 117095443) is 3-[1-(1-methylpiperidin-2-yl)ethoxy]phenol.
What is the SMILES notation for 3-[1-(1-methylpiperidin-2-yl)ethoxy]phenol?
The canonical SMILES for 3-[1-(1-methylpiperidin-2-yl)ethoxy]phenol is CC(Oc1cccc(O)c1)C1CCCCN1C.
What is the InChIKey of 3-[1-(1-methylpiperidin-2-yl)ethoxy]phenol?
The InChIKey is CYHXJJGEPHUKAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-11(14-8-3-4-9-15(14)2)17-13-7-5-6-12(16)10-13/h5-7,10-11,14,16H,3-4,8-9H2,1-2H3.
What are the key properties of 3-[1-(1-methylpiperidin-2-yl)ethoxy]phenol?
3-[1-(1-methylpiperidin-2-yl)ethoxy]phenol has a molecular weight of 235.33 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(1-methylpiperidin-2-yl)ethoxy]phenol is sourced from PubChem (CID 117095443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).