4-[1-hydroxy-2-(3-methylpiperidin-1-yl)ethyl]phenol

C14H21NO2 — CID 11622787

IUPAC4-[1-hydroxy-2-(3-methylpiperidin-1-yl)ethyl]phenol
SMILESCC1CCCN(CC(O)c2ccc(O)cc2)C1
InChIInChI=1S/C14H21NO2/c1-11-3-2-8-15(9-11)10-14(17)12-4-6-13(16)7-5-12/h4-7,11,14,16-17H,2-3,8-10H2,1H3
InChIKeyMOQIALNJRPNSDI-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.16
Rot. Bonds3

About 4-[1-hydroxy-2-(3-methylpiperidin-1-yl)ethyl]phenol

4-[1-hydroxy-2-(3-methylpiperidin-1-yl)ethyl]phenol (PubChem CID 11622787) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 4-[1-hydroxy-2-(3-methylpiperidin-1-yl)ethyl]phenol.

Molecular Properties

Compound Name4-[1-hydroxy-2-(3-methylpiperidin-1-yl)ethyl]phenol
PubChem CID11622787
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name4-[1-hydroxy-2-(3-methylpiperidin-1-yl)ethyl]phenol
SMILESCC1CCCN(CC(O)c2ccc(O)cc2)C1
InChIInChI=1S/C14H21NO2/c1-11-3-2-8-15(9-11)10-14(17)12-4-6-13(16)7-5-12/h4-7,11,14,16-17H,2-3,8-10H2,1H3
InChIKeyMOQIALNJRPNSDI-UHFFFAOYSA-N
XLogP2.16
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[1-hydroxy-2-(3-methylpiperidin-1-yl)ethyl]phenol?
The IUPAC name of 4-[1-hydroxy-2-(3-methylpiperidin-1-yl)ethyl]phenol (CID 11622787) is 4-[1-hydroxy-2-(3-methylpiperidin-1-yl)ethyl]phenol.
What is the SMILES notation for 4-[1-hydroxy-2-(3-methylpiperidin-1-yl)ethyl]phenol?
The canonical SMILES for 4-[1-hydroxy-2-(3-methylpiperidin-1-yl)ethyl]phenol is CC1CCCN(CC(O)c2ccc(O)cc2)C1.
What is the InChIKey of 4-[1-hydroxy-2-(3-methylpiperidin-1-yl)ethyl]phenol?
The InChIKey is MOQIALNJRPNSDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-11-3-2-8-15(9-11)10-14(17)12-4-6-13(16)7-5-12/h4-7,11,14,16-17H,2-3,8-10H2,1H3.
What are the key properties of 4-[1-hydroxy-2-(3-methylpiperidin-1-yl)ethyl]phenol?
4-[1-hydroxy-2-(3-methylpiperidin-1-yl)ethyl]phenol has a molecular weight of 235.33 g/mol, XLogP of 2.16, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-hydroxy-2-(3-methylpiperidin-1-yl)ethyl]phenol is sourced from PubChem (CID 11622787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).