[5-bromo-2-(3-ethylpiperidin-1-yl)phenyl]methanol

C14H20BrNO — CID 114061365

IUPAC[5-bromo-2-(3-ethylpiperidin-1-yl)phenyl]methanol
SMILESCCC1CCCN(c2ccc(Br)cc2CO)C1
InChIInChI=1S/C14H20BrNO/c1-2-11-4-3-7-16(9-11)14-6-5-13(15)8-12(14)10-17/h5-6,8,11,17H,2-4,7,9-10H2,1H3
InChIKeyDFYTYVWKCJZXPZ-UHFFFAOYSA-N
MW298.22 g/mol
LogP3.57
Rot. Bonds3

About [5-bromo-2-(3-ethylpiperidin-1-yl)phenyl]methanol

[5-bromo-2-(3-ethylpiperidin-1-yl)phenyl]methanol (PubChem CID 114061365) has the molecular formula C14H20BrNO and a molecular weight of 298.22 g/mol. Its IUPAC name is [5-bromo-2-(3-ethylpiperidin-1-yl)phenyl]methanol.

Molecular Properties

Compound Name[5-bromo-2-(3-ethylpiperidin-1-yl)phenyl]methanol
PubChem CID114061365
Molecular FormulaC14H20BrNO
Molecular Weight298.22 g/mol
Exact Mass297.07
IUPAC Name[5-bromo-2-(3-ethylpiperidin-1-yl)phenyl]methanol
SMILESCCC1CCCN(c2ccc(Br)cc2CO)C1
InChIInChI=1S/C14H20BrNO/c1-2-11-4-3-7-16(9-11)14-6-5-13(15)8-12(14)10-17/h5-6,8,11,17H,2-4,7,9-10H2,1H3
InChIKeyDFYTYVWKCJZXPZ-UHFFFAOYSA-N
XLogP3.57
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 ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-[4-bromo-2-(hydroxymethyl)phenyl]piperidin-3-yl]methanol
CID 114061366
1-[5-bromo-2-(3-ethylpiperidin-1-yl)phenyl]ethanamine
CID 82972274
1-[5-bromo-2-(3-ethylpyrrolidin-1-yl)phenyl]propan-2-amine
CID 114061978
[4-(3-ethylpiperidin-1-yl)-3-fluorophenyl]methanol
CID 43584730
N-[1-[5-bromo-2-(3-ethylpiperidin-1-yl)phenyl]ethyl]propan-1-amine
CID 82956373
1-[3-bromo-4-(3-ethylpiperidin-1-yl)phenyl]ethanone
CID 62910168
1-[4-bromo-2-(3-ethylpiperidin-1-yl)phenyl]-N-ethylethanamine
CID 82972044
3-bromo-4-(3-ethylpiperidin-1-yl)benzenecarbothioamide
CID 82805181
[4-bromo-2-(3-methoxypiperidin-1-yl)phenyl]methanol
CID 102960035
3-bromo-4-(3-ethylpiperidin-1-yl)-N'-hydroxybenzenecarboximidamide
CID 82799177
4-(3-ethylpiperidin-1-yl)-3-methylaniline
CID 43584157
4-bromo-2-[3-(hydroxymethyl)piperidin-1-yl]benzaldehyde
CID 43590395

Frequently Asked Questions

What is the IUPAC name of [5-bromo-2-(3-ethylpiperidin-1-yl)phenyl]methanol?
The IUPAC name of [5-bromo-2-(3-ethylpiperidin-1-yl)phenyl]methanol (CID 114061365) is [5-bromo-2-(3-ethylpiperidin-1-yl)phenyl]methanol.
What is the SMILES notation for [5-bromo-2-(3-ethylpiperidin-1-yl)phenyl]methanol?
The canonical SMILES for [5-bromo-2-(3-ethylpiperidin-1-yl)phenyl]methanol is CCC1CCCN(c2ccc(Br)cc2CO)C1.
What is the InChIKey of [5-bromo-2-(3-ethylpiperidin-1-yl)phenyl]methanol?
The InChIKey is DFYTYVWKCJZXPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrNO/c1-2-11-4-3-7-16(9-11)14-6-5-13(15)8-12(14)10-17/h5-6,8,11,17H,2-4,7,9-10H2,1H3.
What are the key properties of [5-bromo-2-(3-ethylpiperidin-1-yl)phenyl]methanol?
[5-bromo-2-(3-ethylpiperidin-1-yl)phenyl]methanol has a molecular weight of 298.22 g/mol, XLogP of 3.57, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-bromo-2-(3-ethylpiperidin-1-yl)phenyl]methanol is sourced from PubChem (CID 114061365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).