4-bromo-2-ethyl-6-(piperidin-2-ylmethyl)phenol

C14H20BrNO — CID 117480393

IUPAC4-bromo-2-ethyl-6-(piperidin-2-ylmethyl)phenol
SMILESCCc1cc(Br)cc(CC2CCCCN2)c1O
InChIInChI=1S/C14H20BrNO/c1-2-10-7-12(15)8-11(14(10)17)9-13-5-3-4-6-16-13/h7-8,13,16-17H,2-6,9H2,1H3
InChIKeyTZMSTWIZEIVEOJ-UHFFFAOYSA-N
MW298.22 g/mol
LogP3.40
Rot. Bonds3

About 4-bromo-2-ethyl-6-(piperidin-2-ylmethyl)phenol

4-bromo-2-ethyl-6-(piperidin-2-ylmethyl)phenol (PubChem CID 117480393) has the molecular formula C14H20BrNO and a molecular weight of 298.22 g/mol. Its IUPAC name is 4-bromo-2-ethyl-6-(piperidin-2-ylmethyl)phenol.

Molecular Properties

Compound Name4-bromo-2-ethyl-6-(piperidin-2-ylmethyl)phenol
PubChem CID117480393
Molecular FormulaC14H20BrNO
Molecular Weight298.22 g/mol
Exact Mass297.07
IUPAC Name4-bromo-2-ethyl-6-(piperidin-2-ylmethyl)phenol
SMILESCCc1cc(Br)cc(CC2CCCCN2)c1O
InChIInChI=1S/C14H20BrNO/c1-2-10-7-12(15)8-11(14(10)17)9-13-5-3-4-6-16-13/h7-8,13,16-17H,2-6,9H2,1H3
InChIKeyTZMSTWIZEIVEOJ-UHFFFAOYSA-N
XLogP3.40
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.22
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(5-bromo-2-ethylphenyl)methyl]pyrrolidine
CID 84808304
2-tert-butyl-4-ethyl-6-(piperidin-2-ylmethyl)phenol
CID 117441120
2-ethyl-5-methyl-4-(pyrrolidin-2-ylmethyl)phenol
CID 117313107
3,4-dimethyl-5-(piperidin-2-ylmethyl)benzene-1,2-diol
CID 117342837
2-[(5-bromo-2-methyl-2,3-dihydro-1-benzofuran-7-yl)methyl]piperidine
CID 117495200
4-bromo-2-fluoro-3-methoxy-6-(pyrrolidin-2-ylmethyl)phenol
CID 117489185
4-bromo-3-fluoro-2-methoxy-6-(pyrrolidin-2-ylmethyl)phenol
CID 117489195
3-bromo-5-methyl-4-(piperidin-2-ylmethyl)benzene-1,2-diol
CID 117483454
5-tert-butyl-3-(pyrrolidin-2-ylmethyl)benzene-1,2-diol
CID 117377108
2-bromo-5-methyl-4-(pyrrolidin-2-ylmethyl)phenol
CID 117428488
2-methoxy-3,4-dimethyl-6-(piperidin-2-ylmethyl)phenol
CID 117377158
2-methoxy-4-methyl-6-(pyrrolidin-2-ylmethyl)phenol
CID 117316526

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-ethyl-6-(piperidin-2-ylmethyl)phenol?
The IUPAC name of 4-bromo-2-ethyl-6-(piperidin-2-ylmethyl)phenol (CID 117480393) is 4-bromo-2-ethyl-6-(piperidin-2-ylmethyl)phenol.
What is the SMILES notation for 4-bromo-2-ethyl-6-(piperidin-2-ylmethyl)phenol?
The canonical SMILES for 4-bromo-2-ethyl-6-(piperidin-2-ylmethyl)phenol is CCc1cc(Br)cc(CC2CCCCN2)c1O.
What is the InChIKey of 4-bromo-2-ethyl-6-(piperidin-2-ylmethyl)phenol?
The InChIKey is TZMSTWIZEIVEOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrNO/c1-2-10-7-12(15)8-11(14(10)17)9-13-5-3-4-6-16-13/h7-8,13,16-17H,2-6,9H2,1H3.
What are the key properties of 4-bromo-2-ethyl-6-(piperidin-2-ylmethyl)phenol?
4-bromo-2-ethyl-6-(piperidin-2-ylmethyl)phenol has a molecular weight of 298.22 g/mol, XLogP of 3.40, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-ethyl-6-(piperidin-2-ylmethyl)phenol is sourced from PubChem (CID 117480393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).