3-[(2-ethoxyphenoxy)methyl]piperidin-3-ol

C14H21NO3 — CID 3025659

IUPAC3-[(2-ethoxyphenoxy)methyl]piperidin-3-ol
SMILESCCOc1ccccc1OCC1(O)CCCNC1
InChIInChI=1S/C14H21NO3/c1-2-17-12-6-3-4-7-13(12)18-11-14(16)8-5-9-15-10-14/h3-4,6-7,15-16H,2,5,8-11H2,1H3
InChIKeyDTZJOKALKLTLDD-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.58
Rot. Bonds5

About 3-[(2-ethoxyphenoxy)methyl]piperidin-3-ol

3-[(2-ethoxyphenoxy)methyl]piperidin-3-ol (PubChem CID 3025659) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is 3-[(2-ethoxyphenoxy)methyl]piperidin-3-ol.

Molecular Properties

Compound Name3-[(2-ethoxyphenoxy)methyl]piperidin-3-ol
PubChem CID3025659
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Name3-[(2-ethoxyphenoxy)methyl]piperidin-3-ol
SMILESCCOc1ccccc1OCC1(O)CCCNC1
InChIInChI=1S/C14H21NO3/c1-2-17-12-6-3-4-7-13(12)18-11-14(16)8-5-9-15-10-14/h3-4,6-7,15-16H,2,5,8-11H2,1H3
InChIKeyDTZJOKALKLTLDD-UHFFFAOYSA-N
XLogP1.58
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-ethoxyphenoxy)methyl]piperidin-3-ol?
The IUPAC name of 3-[(2-ethoxyphenoxy)methyl]piperidin-3-ol (CID 3025659) is 3-[(2-ethoxyphenoxy)methyl]piperidin-3-ol.
What is the SMILES notation for 3-[(2-ethoxyphenoxy)methyl]piperidin-3-ol?
The canonical SMILES for 3-[(2-ethoxyphenoxy)methyl]piperidin-3-ol is CCOc1ccccc1OCC1(O)CCCNC1.
What is the InChIKey of 3-[(2-ethoxyphenoxy)methyl]piperidin-3-ol?
The InChIKey is DTZJOKALKLTLDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-2-17-12-6-3-4-7-13(12)18-11-14(16)8-5-9-15-10-14/h3-4,6-7,15-16H,2,5,8-11H2,1H3.
What are the key properties of 3-[(2-ethoxyphenoxy)methyl]piperidin-3-ol?
3-[(2-ethoxyphenoxy)methyl]piperidin-3-ol has a molecular weight of 251.33 g/mol, XLogP of 1.58, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-ethoxyphenoxy)methyl]piperidin-3-ol is sourced from PubChem (CID 3025659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).