2-bromo-4-[(4-ethylpiperidin-1-yl)methyl]phenol

C14H20BrNO — CID 82985669

IUPAC2-bromo-4-[(4-ethylpiperidin-1-yl)methyl]phenol
SMILESCCC1CCN(Cc2ccc(O)c(Br)c2)CC1
InChIInChI=1S/C14H20BrNO/c1-2-11-5-7-16(8-6-11)10-12-3-4-14(17)13(15)9-12/h3-4,9,11,17H,2,5-8,10H2,1H3
InChIKeyJIYYIHAQPGOYKG-UHFFFAOYSA-N
MW298.22 g/mol
LogP3.78
Rot. Bonds3

About 2-bromo-4-[(4-ethylpiperidin-1-yl)methyl]phenol

2-bromo-4-[(4-ethylpiperidin-1-yl)methyl]phenol (PubChem CID 82985669) has the molecular formula C14H20BrNO and a molecular weight of 298.22 g/mol. Its IUPAC name is 2-bromo-4-[(4-ethylpiperidin-1-yl)methyl]phenol.

Molecular Properties

Compound Name2-bromo-4-[(4-ethylpiperidin-1-yl)methyl]phenol
PubChem CID82985669
Molecular FormulaC14H20BrNO
Molecular Weight298.22 g/mol
Exact Mass297.07
IUPAC Name2-bromo-4-[(4-ethylpiperidin-1-yl)methyl]phenol
SMILESCCC1CCN(Cc2ccc(O)c(Br)c2)CC1
InChIInChI=1S/C14H20BrNO/c1-2-11-5-7-16(8-6-11)10-12-3-4-14(17)13(15)9-12/h3-4,9,11,17H,2,5-8,10H2,1H3
InChIKeyJIYYIHAQPGOYKG-UHFFFAOYSA-N
XLogP3.78
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.22
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-4-[(4-ethylpiperazin-1-yl)methyl]phenol
CID 115280835
1-[(4-bromophenyl)methyl]-4-ethylpiperidine
CID 63456491
4-[(4-ethylazepan-1-yl)methyl]-2-(trifluoromethyl)phenol
CID 82965038
2-bromo-4-[(4-tert-butylpiperazin-1-yl)methyl]phenol
CID 115282413
4-[(4-ethylpiperidin-1-yl)methyl]-2-methylaniline
CID 61421994
2-fluoro-4-[(4-propylpiperidin-1-yl)methyl]phenol
CID 107694032
2-bromo-4-[(2-ethylmorpholin-4-yl)methyl]phenol
CID 82976620
2-bromo-4-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]phenol
CID 82980206
4-ethyl-1-[(4-methylphenyl)methyl]piperidine
CID 144879966
1-[(3-bromo-4-fluorophenyl)methyl]-4-propylpiperidine
CID 63458840
4-[(4-ethylpiperidin-1-yl)methyl]-2,6-dimethylphenol
CID 113225380
2-bromo-4-[(3,3-diethylpyrrolidin-1-yl)methyl]phenol
CID 82983375

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-[(4-ethylpiperidin-1-yl)methyl]phenol?
The IUPAC name of 2-bromo-4-[(4-ethylpiperidin-1-yl)methyl]phenol (CID 82985669) is 2-bromo-4-[(4-ethylpiperidin-1-yl)methyl]phenol.
What is the SMILES notation for 2-bromo-4-[(4-ethylpiperidin-1-yl)methyl]phenol?
The canonical SMILES for 2-bromo-4-[(4-ethylpiperidin-1-yl)methyl]phenol is CCC1CCN(Cc2ccc(O)c(Br)c2)CC1.
What is the InChIKey of 2-bromo-4-[(4-ethylpiperidin-1-yl)methyl]phenol?
The InChIKey is JIYYIHAQPGOYKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrNO/c1-2-11-5-7-16(8-6-11)10-12-3-4-14(17)13(15)9-12/h3-4,9,11,17H,2,5-8,10H2,1H3.
What are the key properties of 2-bromo-4-[(4-ethylpiperidin-1-yl)methyl]phenol?
2-bromo-4-[(4-ethylpiperidin-1-yl)methyl]phenol has a molecular weight of 298.22 g/mol, XLogP of 3.78, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-[(4-ethylpiperidin-1-yl)methyl]phenol is sourced from PubChem (CID 82985669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).