1-(4-ethoxyphenyl)piperidin-3-ol

C13H19NO2 — CID 117012789

IUPAC1-(4-ethoxyphenyl)piperidin-3-ol
SMILESCCOc1ccc(N2CCCC(O)C2)cc1
InChIInChI=1S/C13H19NO2/c1-2-16-13-7-5-11(6-8-13)14-9-3-4-12(15)10-14/h5-8,12,15H,2-4,9-10H2,1H3
InChIKeySROAZCJDALCWNM-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.05
Rot. Bonds3

About 1-(4-ethoxyphenyl)piperidin-3-ol

1-(4-ethoxyphenyl)piperidin-3-ol (PubChem CID 117012789) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is 1-(4-ethoxyphenyl)piperidin-3-ol.

Molecular Properties

Compound Name1-(4-ethoxyphenyl)piperidin-3-ol
PubChem CID117012789
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name1-(4-ethoxyphenyl)piperidin-3-ol
SMILESCCOc1ccc(N2CCCC(O)C2)cc1
InChIInChI=1S/C13H19NO2/c1-2-16-13-7-5-11(6-8-13)14-9-3-4-12(15)10-14/h5-8,12,15H,2-4,9-10H2,1H3
InChIKeySROAZCJDALCWNM-UHFFFAOYSA-N
XLogP2.05
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

(3R)-1-(4-ethoxyphenyl)pyrrolidin-3-ol
CID 95732309
N-(cyclopropylmethyl)-1-(4-ethoxyphenyl)piperidin-3-amine
CID 83996571
1-(4-ethoxyphenyl)-3-methylpyrrolidine
CID 143805515
1-(4-ethoxyphenyl)pyrrolidin-3-amine
CID 43314939
2-(4-ethoxyphenoxy)-1-[(3S)-3-hydroxypiperidin-1-yl]ethanone
CID 107224272
1-[4-(trifluoromethoxy)phenyl]piperidin-3-ol
CID 71226421
1-[1-(4-ethoxyphenyl)pyrrolidin-3-yl]ethanone
CID 83982048
3-cyclopropyl-1-(4-ethoxyphenyl)-1,4-diazepane
CID 64941701
N-[[1-(4-ethoxyphenyl)pyrrolidin-3-yl]methyl]propan-1-amine
CID 62514030
2-(4-ethoxyphenoxy)-N-[4-(3-methoxypiperidin-1-yl)phenyl]acetamide
CID 121141474
1-(4-ethoxyphenyl)-4,6-dimethyl-1,4-diazepane
CID 138551851
2-[1-(4-ethoxyphenyl)pyrrolidin-3-yl]-1,1,1-trifluoropropan-2-ol
CID 83982062

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxyphenyl)piperidin-3-ol?
The IUPAC name of 1-(4-ethoxyphenyl)piperidin-3-ol (CID 117012789) is 1-(4-ethoxyphenyl)piperidin-3-ol.
What is the SMILES notation for 1-(4-ethoxyphenyl)piperidin-3-ol?
The canonical SMILES for 1-(4-ethoxyphenyl)piperidin-3-ol is CCOc1ccc(N2CCCC(O)C2)cc1.
What is the InChIKey of 1-(4-ethoxyphenyl)piperidin-3-ol?
The InChIKey is SROAZCJDALCWNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-2-16-13-7-5-11(6-8-13)14-9-3-4-12(15)10-14/h5-8,12,15H,2-4,9-10H2,1H3.
What are the key properties of 1-(4-ethoxyphenyl)piperidin-3-ol?
1-(4-ethoxyphenyl)piperidin-3-ol has a molecular weight of 221.30 g/mol, XLogP of 2.05, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxyphenyl)piperidin-3-ol is sourced from PubChem (CID 117012789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).