2-bromo-6-[(4-tert-butylpiperidin-1-yl)methyl]phenol

C16H24BrNO — CID 82986532

IUPAC2-bromo-6-[(4-tert-butylpiperidin-1-yl)methyl]phenol
SMILESCC(C)(C)C1CCN(Cc2cccc(Br)c2O)CC1
InChIInChI=1S/C16H24BrNO/c1-16(2,3)13-7-9-18(10-8-13)11-12-5-4-6-14(17)15(12)19/h4-6,13,19H,7-11H2,1-3H3
InChIKeyONXXUVOQDOXZCW-UHFFFAOYSA-N
MW326.28 g/mol
LogP4.41
Rot. Bonds2

About 2-bromo-6-[(4-tert-butylpiperidin-1-yl)methyl]phenol

2-bromo-6-[(4-tert-butylpiperidin-1-yl)methyl]phenol (PubChem CID 82986532) has the molecular formula C16H24BrNO and a molecular weight of 326.28 g/mol. Its IUPAC name is 2-bromo-6-[(4-tert-butylpiperidin-1-yl)methyl]phenol.

Molecular Properties

Compound Name2-bromo-6-[(4-tert-butylpiperidin-1-yl)methyl]phenol
PubChem CID82986532
Molecular FormulaC16H24BrNO
Molecular Weight326.28 g/mol
Exact Mass325.10
IUPAC Name2-bromo-6-[(4-tert-butylpiperidin-1-yl)methyl]phenol
SMILESCC(C)(C)C1CCN(Cc2cccc(Br)c2O)CC1
InChIInChI=1S/C16H24BrNO/c1-16(2,3)13-7-9-18(10-8-13)11-12-5-4-6-14(17)15(12)19/h4-6,13,19H,7-11H2,1-3H3
InChIKeyONXXUVOQDOXZCW-UHFFFAOYSA-N
XLogP4.41
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.28
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

2-bromo-6-(pyrrolidin-1-ylmethyl)phenol
CID 78916446
2-bromo-6-[(4-ethylpiperazin-1-yl)methyl]phenol
CID 82974919
2-bromo-6-[(4-propan-2-ylazepan-1-yl)methyl]phenol
CID 82981234
[2-[(4-tert-butylpiperidin-1-yl)methyl]phenyl]methanamine
CID 62091604
[3-[(4-tert-butylpiperidin-1-yl)methyl]-2-fluorophenyl]methanamine
CID 107113344
1-[4-[(3-bromo-2-hydroxyphenyl)methyl]-1,4-diazepan-1-yl]ethanone
CID 82986155
2-[(4-tert-butylpiperidin-1-yl)methyl]-4,6-dichlorophenol
CID 82986743
2-methoxy-6-[(4-propylpiperidin-1-yl)methyl]phenol
CID 82979967
2-[(4-tert-butylpiperidin-1-yl)methyl]-N'-hydroxybenzenecarboximidamide
CID 76934516
methyl 2-[(4-tert-butylpiperidin-1-yl)methyl]benzoate
CID 82958884
[3-[(4-tert-butylpiperidin-1-yl)methyl]-2-pyridinyl]methanamine
CID 62895524
4-tert-butyl-1-[(3-tert-butylphenyl)methyl]piperidine
CID 153484507

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-[(4-tert-butylpiperidin-1-yl)methyl]phenol?
The IUPAC name of 2-bromo-6-[(4-tert-butylpiperidin-1-yl)methyl]phenol (CID 82986532) is 2-bromo-6-[(4-tert-butylpiperidin-1-yl)methyl]phenol.
What is the SMILES notation for 2-bromo-6-[(4-tert-butylpiperidin-1-yl)methyl]phenol?
The canonical SMILES for 2-bromo-6-[(4-tert-butylpiperidin-1-yl)methyl]phenol is CC(C)(C)C1CCN(Cc2cccc(Br)c2O)CC1.
What is the InChIKey of 2-bromo-6-[(4-tert-butylpiperidin-1-yl)methyl]phenol?
The InChIKey is ONXXUVOQDOXZCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrNO/c1-16(2,3)13-7-9-18(10-8-13)11-12-5-4-6-14(17)15(12)19/h4-6,13,19H,7-11H2,1-3H3.
What are the key properties of 2-bromo-6-[(4-tert-butylpiperidin-1-yl)methyl]phenol?
2-bromo-6-[(4-tert-butylpiperidin-1-yl)methyl]phenol has a molecular weight of 326.28 g/mol, XLogP of 4.41, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-[(4-tert-butylpiperidin-1-yl)methyl]phenol is sourced from PubChem (CID 82986532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).