4-[(3-ethylphenoxy)methyl]piperidin-4-ol

C14H21NO2 — CID 81043219

IUPAC4-[(3-ethylphenoxy)methyl]piperidin-4-ol
SMILESCCc1cccc(OCC2(O)CCNCC2)c1
InChIInChI=1S/C14H21NO2/c1-2-12-4-3-5-13(10-12)17-11-14(16)6-8-15-9-7-14/h3-5,10,15-16H,2,6-9,11H2,1H3
InChIKeyVTECUNMSPZTXFN-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.74
Rot. Bonds4

About 4-[(3-ethylphenoxy)methyl]piperidin-4-ol

4-[(3-ethylphenoxy)methyl]piperidin-4-ol (PubChem CID 81043219) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 4-[(3-ethylphenoxy)methyl]piperidin-4-ol.

Molecular Properties

Compound Name4-[(3-ethylphenoxy)methyl]piperidin-4-ol
PubChem CID81043219
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name4-[(3-ethylphenoxy)methyl]piperidin-4-ol
SMILESCCc1cccc(OCC2(O)CCNCC2)c1
InChIInChI=1S/C14H21NO2/c1-2-12-4-3-5-13(10-12)17-11-14(16)6-8-15-9-7-14/h3-5,10,15-16H,2,6-9,11H2,1H3
InChIKeyVTECUNMSPZTXFN-UHFFFAOYSA-N
XLogP1.74
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(3-methoxyphenoxy)methyl]piperidin-4-ol
CID 81042080
2-(3-ethylphenoxy)-N-[(1-hydroxycyclobutyl)methyl]acetamide
CID 115643579
4-[(3-ethylphenoxy)methyl]-1-azabicyclo[2.2.2]octane
CID 70852220
1-[[1-(bromomethyl)cyclopentyl]methoxy]-3-ethylbenzene
CID 65001286
1-[(3-butylphenoxy)methyl]cycloheptan-1-ol
CID 69097308
4-[(3,5-dimethoxyphenoxy)methyl]piperidin-4-ol
CID 81042741
2-(3-ethylphenoxy)-N-[(1-hydroxycyclohexyl)methyl]acetamide
CID 64866142
4-(pyridin-3-yloxymethyl)piperidin-4-ol
CID 112703881
3-[(3-ethylphenoxy)methyl]azetidine
CID 70653754
2-(3-ethylphenoxy)-N-[(4-hydroxyoxan-4-yl)methyl]acetamide
CID 79037319
1-[[3-(methylaminomethyl)phenoxy]methyl]cyclohexan-1-ol
CID 65208592
N-[(3-ethoxyphenyl)methyl]-4-(methoxymethyl)piperidine-4-carboxamide
CID 120621206

Frequently Asked Questions

What is the IUPAC name of 4-[(3-ethylphenoxy)methyl]piperidin-4-ol?
The IUPAC name of 4-[(3-ethylphenoxy)methyl]piperidin-4-ol (CID 81043219) is 4-[(3-ethylphenoxy)methyl]piperidin-4-ol.
What is the SMILES notation for 4-[(3-ethylphenoxy)methyl]piperidin-4-ol?
The canonical SMILES for 4-[(3-ethylphenoxy)methyl]piperidin-4-ol is CCc1cccc(OCC2(O)CCNCC2)c1.
What is the InChIKey of 4-[(3-ethylphenoxy)methyl]piperidin-4-ol?
The InChIKey is VTECUNMSPZTXFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-2-12-4-3-5-13(10-12)17-11-14(16)6-8-15-9-7-14/h3-5,10,15-16H,2,6-9,11H2,1H3.
What are the key properties of 4-[(3-ethylphenoxy)methyl]piperidin-4-ol?
4-[(3-ethylphenoxy)methyl]piperidin-4-ol has a molecular weight of 235.33 g/mol, XLogP of 1.74, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-ethylphenoxy)methyl]piperidin-4-ol is sourced from PubChem (CID 81043219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).