3-[(3-bromo-4-hydroxyphenyl)methyl]-1-ethylpiperidin-4-ol

C14H20BrNO2 — CID 110537918

IUPAC3-[(3-bromo-4-hydroxyphenyl)methyl]-1-ethylpiperidin-4-ol
SMILESCCN1CCC(O)C(Cc2ccc(O)c(Br)c2)C1
InChIInChI=1S/C14H20BrNO2/c1-2-16-6-5-13(17)11(9-16)7-10-3-4-14(18)12(15)8-10/h3-4,8,11,13,17-18H,2,5-7,9H2,1H3
InChIKeyIFINFVAEQGKLAQ-UHFFFAOYSA-N
MW314.22 g/mol
LogP2.40
Rot. Bonds3

About 3-[(3-bromo-4-hydroxyphenyl)methyl]-1-ethylpiperidin-4-ol

3-[(3-bromo-4-hydroxyphenyl)methyl]-1-ethylpiperidin-4-ol (PubChem CID 110537918) has the molecular formula C14H20BrNO2 and a molecular weight of 314.22 g/mol. Its IUPAC name is 3-[(3-bromo-4-hydroxyphenyl)methyl]-1-ethylpiperidin-4-ol.

Molecular Properties

Compound Name3-[(3-bromo-4-hydroxyphenyl)methyl]-1-ethylpiperidin-4-ol
PubChem CID110537918
Molecular FormulaC14H20BrNO2
Molecular Weight314.22 g/mol
Exact Mass313.07
IUPAC Name3-[(3-bromo-4-hydroxyphenyl)methyl]-1-ethylpiperidin-4-ol
SMILESCCN1CCC(O)C(Cc2ccc(O)c(Br)c2)C1
InChIInChI=1S/C14H20BrNO2/c1-2-16-6-5-13(17)11(9-16)7-10-3-4-14(18)12(15)8-10/h3-4,8,11,13,17-18H,2,5-7,9H2,1H3
InChIKeyIFINFVAEQGKLAQ-UHFFFAOYSA-N
XLogP2.40
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.22
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(3-amino-4-hydroxyphenyl)methyl]-1-ethylpiperidin-4-ol
CID 110539475
3-[(3-chlorophenyl)methyl]-1-ethylpiperidin-4-ol
CID 110540158
3-[[4-[(4-bromophenyl)methoxy]-3-methoxyphenyl]methyl]-1-ethylpiperidin-4-ol
CID 110530591
(3R,4S)-1,3-diethylpiperidin-4-ol
CID 129380803
2-bromo-4-[(4-ethylpiperazin-1-yl)methyl]phenol
CID 115280835
2-bromo-4-[(4-ethylpiperidin-1-yl)methyl]phenol
CID 82985669
2-bromo-4-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]phenol
CID 82980206
3-[(3,4-dichlorophenyl)methyl]-1-propylpiperidin-4-ol
CID 110538491
3-[(4-ethoxy-3,5-dimethoxyphenyl)methyl]-1-ethylpiperidin-4-ol
CID 110537452
3-[(3,5-dibromo-4-hydroxyphenyl)methyl]-1-methylpiperidin-4-ol
CID 110533825
3-[[4-[(2,5-dimethylphenyl)methoxy]-3-ethoxyphenyl]methyl]-1-ethylpiperidin-4-ol
CID 110532589
3-[(3-bromo-4-propoxyphenyl)methyl]-1-methylpiperidin-4-ol
CID 110536370

Frequently Asked Questions

What is the IUPAC name of 3-[(3-bromo-4-hydroxyphenyl)methyl]-1-ethylpiperidin-4-ol?
The IUPAC name of 3-[(3-bromo-4-hydroxyphenyl)methyl]-1-ethylpiperidin-4-ol (CID 110537918) is 3-[(3-bromo-4-hydroxyphenyl)methyl]-1-ethylpiperidin-4-ol.
What is the SMILES notation for 3-[(3-bromo-4-hydroxyphenyl)methyl]-1-ethylpiperidin-4-ol?
The canonical SMILES for 3-[(3-bromo-4-hydroxyphenyl)methyl]-1-ethylpiperidin-4-ol is CCN1CCC(O)C(Cc2ccc(O)c(Br)c2)C1.
What is the InChIKey of 3-[(3-bromo-4-hydroxyphenyl)methyl]-1-ethylpiperidin-4-ol?
The InChIKey is IFINFVAEQGKLAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrNO2/c1-2-16-6-5-13(17)11(9-16)7-10-3-4-14(18)12(15)8-10/h3-4,8,11,13,17-18H,2,5-7,9H2,1H3.
What are the key properties of 3-[(3-bromo-4-hydroxyphenyl)methyl]-1-ethylpiperidin-4-ol?
3-[(3-bromo-4-hydroxyphenyl)methyl]-1-ethylpiperidin-4-ol has a molecular weight of 314.22 g/mol, XLogP of 2.40, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-bromo-4-hydroxyphenyl)methyl]-1-ethylpiperidin-4-ol is sourced from PubChem (CID 110537918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).