4-[2-(1-ethylpiperidin-4-yl)-3-hydroxypropoxy]phenol

C16H25NO3 — CID 117239428

IUPAC4-[2-(1-ethylpiperidin-4-yl)-3-hydroxypropoxy]phenol
SMILESCCN1CCC(C(CO)COc2ccc(O)cc2)CC1
InChIInChI=1S/C16H25NO3/c1-2-17-9-7-13(8-10-17)14(11-18)12-20-16-5-3-15(19)4-6-16/h3-6,13-14,18-19H,2,7-12H2,1H3
InChIKeySAAXMVIEOYIOEG-UHFFFAOYSA-N
MW279.38 g/mol
LogP2.11
Rot. Bonds6

About 4-[2-(1-ethylpiperidin-4-yl)-3-hydroxypropoxy]phenol

4-[2-(1-ethylpiperidin-4-yl)-3-hydroxypropoxy]phenol (PubChem CID 117239428) has the molecular formula C16H25NO3 and a molecular weight of 279.38 g/mol. Its IUPAC name is 4-[2-(1-ethylpiperidin-4-yl)-3-hydroxypropoxy]phenol.

Molecular Properties

Compound Name4-[2-(1-ethylpiperidin-4-yl)-3-hydroxypropoxy]phenol
PubChem CID117239428
Molecular FormulaC16H25NO3
Molecular Weight279.38 g/mol
Exact Mass279.18
IUPAC Name4-[2-(1-ethylpiperidin-4-yl)-3-hydroxypropoxy]phenol
SMILESCCN1CCC(C(CO)COc2ccc(O)cc2)CC1
InChIInChI=1S/C16H25NO3/c1-2-17-9-7-13(8-10-17)14(11-18)12-20-16-5-3-15(19)4-6-16/h3-6,13-14,18-19H,2,7-12H2,1H3
InChIKeySAAXMVIEOYIOEG-UHFFFAOYSA-N
XLogP2.11
TPSA52.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-ethylpiperidin-4-yl)-3-(4-hydroxyphenoxy)propanoic acid
CID 117239836
2-(1-ethylpiperidin-4-yl)-3-(4-methylphenoxy)propan-1-amine
CID 117239412
3-(2-chlorophenoxy)-2-(1-ethylpiperidin-4-yl)propan-1-ol
CID 117239259
4-[2-hydroxy-2-(1-methylpiperidin-4-yl)ethoxy]phenol
CID 117238923
3-[3-hydroxy-2-(1-propan-2-ylpiperidin-4-yl)propoxy]phenol
CID 117239349
1-(1-ethylpiperidin-4-yl)-2-(4-methoxyphenoxy)ethanamine
CID 117238940
2-(1-ethylpyrrolidin-3-yl)-3-(4-methoxyphenoxy)propan-1-amine
CID 117237996
4-[2-hydroxy-2-(1-methylpyrrolidin-3-yl)ethoxy]phenol
CID 117237471
1-(1-ethylpiperidin-4-yl)-2-(4-fluorophenoxy)ethanamine
CID 117238931
2-(4-chlorophenoxy)-1-(1-ethylpiperidin-4-yl)ethanamine
CID 117238932
2-(4-chlorophenoxy)-1-(1-ethylpyrrolidin-3-yl)ethanol
CID 117237487
4-[2-(hydroxymethyl)butoxy]phenol
CID 117241981

Frequently Asked Questions

What is the IUPAC name of 4-[2-(1-ethylpiperidin-4-yl)-3-hydroxypropoxy]phenol?
The IUPAC name of 4-[2-(1-ethylpiperidin-4-yl)-3-hydroxypropoxy]phenol (CID 117239428) is 4-[2-(1-ethylpiperidin-4-yl)-3-hydroxypropoxy]phenol.
What is the SMILES notation for 4-[2-(1-ethylpiperidin-4-yl)-3-hydroxypropoxy]phenol?
The canonical SMILES for 4-[2-(1-ethylpiperidin-4-yl)-3-hydroxypropoxy]phenol is CCN1CCC(C(CO)COc2ccc(O)cc2)CC1.
What is the InChIKey of 4-[2-(1-ethylpiperidin-4-yl)-3-hydroxypropoxy]phenol?
The InChIKey is SAAXMVIEOYIOEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3/c1-2-17-9-7-13(8-10-17)14(11-18)12-20-16-5-3-15(19)4-6-16/h3-6,13-14,18-19H,2,7-12H2,1H3.
What are the key properties of 4-[2-(1-ethylpiperidin-4-yl)-3-hydroxypropoxy]phenol?
4-[2-(1-ethylpiperidin-4-yl)-3-hydroxypropoxy]phenol has a molecular weight of 279.38 g/mol, XLogP of 2.11, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(1-ethylpiperidin-4-yl)-3-hydroxypropoxy]phenol is sourced from PubChem (CID 117239428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).