3-(4-ethylphenoxy)-1-piperidin-3-ylpropan-1-ol

C16H25NO2 — CID 112509368

IUPAC3-(4-ethylphenoxy)-1-piperidin-3-ylpropan-1-ol
SMILESCCc1ccc(OCCC(O)C2CCCNC2)cc1
InChIInChI=1S/C16H25NO2/c1-2-13-5-7-15(8-6-13)19-11-9-16(18)14-4-3-10-17-12-14/h5-8,14,16-18H,2-4,9-12H2,1H3
InChIKeyRJRZXOFROWXMLB-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.38
Rot. Bonds6

About 3-(4-ethylphenoxy)-1-piperidin-3-ylpropan-1-ol

3-(4-ethylphenoxy)-1-piperidin-3-ylpropan-1-ol (PubChem CID 112509368) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 3-(4-ethylphenoxy)-1-piperidin-3-ylpropan-1-ol.

Molecular Properties

Compound Name3-(4-ethylphenoxy)-1-piperidin-3-ylpropan-1-ol
PubChem CID112509368
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name3-(4-ethylphenoxy)-1-piperidin-3-ylpropan-1-ol
SMILESCCc1ccc(OCCC(O)C2CCCNC2)cc1
InChIInChI=1S/C16H25NO2/c1-2-13-5-7-15(8-6-13)19-11-9-16(18)14-4-3-10-17-12-14/h5-8,14,16-18H,2-4,9-12H2,1H3
InChIKeyRJRZXOFROWXMLB-UHFFFAOYSA-N
XLogP2.38
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-ethylphenyl)-1-piperidin-3-ylethanol
CID 79019336
2-(4-fluorophenyl)-1-piperidin-3-ylethanol
CID 71683765
1-cycloheptyl-3-phenoxypropan-1-ol
CID 82931193
(3R)-3-[(4-propoxyphenoxy)methyl]piperidine
CID 86322824
(4-ethoxyphenyl)-piperidin-3-ylmethanamine
CID 116935799
3-(4-ethoxyphenyl)-1-piperidin-4-ylpropan-1-ol
CID 112512841
3-amino-1-piperidin-3-ylpropan-1-ol
CID 82596067
2-(4-methoxyphenoxy)-1-pyrrolidin-3-ylethanol
CID 117237470
2-(4-ethylphenoxy)-N-(piperidin-3-ylmethyl)acetamide
CID 119460422
1-ethyl-4-(3-methylbutoxy)benzene
CID 60722998
1-(azepan-3-yl)pentan-1-ol
CID 67828850
1-cyclopentyl-3-(4-ethylphenoxy)propan-2-ol
CID 103160577

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethylphenoxy)-1-piperidin-3-ylpropan-1-ol?
The IUPAC name of 3-(4-ethylphenoxy)-1-piperidin-3-ylpropan-1-ol (CID 112509368) is 3-(4-ethylphenoxy)-1-piperidin-3-ylpropan-1-ol.
What is the SMILES notation for 3-(4-ethylphenoxy)-1-piperidin-3-ylpropan-1-ol?
The canonical SMILES for 3-(4-ethylphenoxy)-1-piperidin-3-ylpropan-1-ol is CCc1ccc(OCCC(O)C2CCCNC2)cc1.
What is the InChIKey of 3-(4-ethylphenoxy)-1-piperidin-3-ylpropan-1-ol?
The InChIKey is RJRZXOFROWXMLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-2-13-5-7-15(8-6-13)19-11-9-16(18)14-4-3-10-17-12-14/h5-8,14,16-18H,2-4,9-12H2,1H3.
What are the key properties of 3-(4-ethylphenoxy)-1-piperidin-3-ylpropan-1-ol?
3-(4-ethylphenoxy)-1-piperidin-3-ylpropan-1-ol has a molecular weight of 263.38 g/mol, XLogP of 2.38, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethylphenoxy)-1-piperidin-3-ylpropan-1-ol is sourced from PubChem (CID 112509368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).