4-(2-cyclobutylphenyl)-1-ethylpiperidin-4-ol

C17H25NO — CID 114601116

IUPAC4-(2-cyclobutylphenyl)-1-ethylpiperidin-4-ol
SMILESCCN1CCC(O)(c2ccccc2C2CCC2)CC1
InChIInChI=1S/C17H25NO/c1-2-18-12-10-17(19,11-13-18)16-9-4-3-8-15(16)14-6-5-7-14/h3-4,8-9,14,19H,2,5-7,10-13H2,1H3
InChIKeyFEZUYEGPGBPZQD-UHFFFAOYSA-N
MW259.39 g/mol
LogP3.26
Rot. Bonds3

About 4-(2-cyclobutylphenyl)-1-ethylpiperidin-4-ol

4-(2-cyclobutylphenyl)-1-ethylpiperidin-4-ol (PubChem CID 114601116) has the molecular formula C17H25NO and a molecular weight of 259.39 g/mol. Its IUPAC name is 4-(2-cyclobutylphenyl)-1-ethylpiperidin-4-ol.

Molecular Properties

Compound Name4-(2-cyclobutylphenyl)-1-ethylpiperidin-4-ol
PubChem CID114601116
Molecular FormulaC17H25NO
Molecular Weight259.39 g/mol
Exact Mass259.19
IUPAC Name4-(2-cyclobutylphenyl)-1-ethylpiperidin-4-ol
SMILESCCN1CCC(O)(c2ccccc2C2CCC2)CC1
InChIInChI=1S/C17H25NO/c1-2-18-12-10-17(19,11-13-18)16-9-4-3-8-15(16)14-6-5-7-14/h3-4,8-9,14,19H,2,5-7,10-13H2,1H3
InChIKeyFEZUYEGPGBPZQD-UHFFFAOYSA-N
XLogP3.26
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2-cyclobutylphenyl)-1-ethylpiperidin-4-ol?
The IUPAC name of 4-(2-cyclobutylphenyl)-1-ethylpiperidin-4-ol (CID 114601116) is 4-(2-cyclobutylphenyl)-1-ethylpiperidin-4-ol.
What is the SMILES notation for 4-(2-cyclobutylphenyl)-1-ethylpiperidin-4-ol?
The canonical SMILES for 4-(2-cyclobutylphenyl)-1-ethylpiperidin-4-ol is CCN1CCC(O)(c2ccccc2C2CCC2)CC1.
What is the InChIKey of 4-(2-cyclobutylphenyl)-1-ethylpiperidin-4-ol?
The InChIKey is FEZUYEGPGBPZQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO/c1-2-18-12-10-17(19,11-13-18)16-9-4-3-8-15(16)14-6-5-7-14/h3-4,8-9,14,19H,2,5-7,10-13H2,1H3.
What are the key properties of 4-(2-cyclobutylphenyl)-1-ethylpiperidin-4-ol?
4-(2-cyclobutylphenyl)-1-ethylpiperidin-4-ol has a molecular weight of 259.39 g/mol, XLogP of 3.26, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-cyclobutylphenyl)-1-ethylpiperidin-4-ol is sourced from PubChem (CID 114601116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).