4-bromo-3-methyl-2-piperidin-4-ylphenol

C12H16BrNO — CID 84712688

IUPAC4-bromo-3-methyl-2-piperidin-4-ylphenol
SMILESCc1c(Br)ccc(O)c1C1CCNCC1
InChIInChI=1S/C12H16BrNO/c1-8-10(13)2-3-11(15)12(8)9-4-6-14-7-5-9/h2-3,9,14-15H,4-7H2,1H3
InChIKeyJCFZPPCLMKBNAQ-UHFFFAOYSA-N
MW270.17 g/mol
LogP2.93
Rot. Bonds1

About 4-bromo-3-methyl-2-piperidin-4-ylphenol

4-bromo-3-methyl-2-piperidin-4-ylphenol (PubChem CID 84712688) has the molecular formula C12H16BrNO and a molecular weight of 270.17 g/mol. Its IUPAC name is 4-bromo-3-methyl-2-piperidin-4-ylphenol.

Molecular Properties

Compound Name4-bromo-3-methyl-2-piperidin-4-ylphenol
PubChem CID84712688
Molecular FormulaC12H16BrNO
Molecular Weight270.17 g/mol
Exact Mass269.04
IUPAC Name4-bromo-3-methyl-2-piperidin-4-ylphenol
SMILESCc1c(Br)ccc(O)c1C1CCNCC1
InChIInChI=1S/C12H16BrNO/c1-8-10(13)2-3-11(15)12(8)9-4-6-14-7-5-9/h2-3,9,14-15H,4-7H2,1H3
InChIKeyJCFZPPCLMKBNAQ-UHFFFAOYSA-N
XLogP2.93
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.17
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-fluoro-3-methyl-2-piperidin-4-ylphenol
CID 84676985
4-bromo-3-methyl-2-(piperidin-4-ylmethyl)phenol
CID 84812931
4-bromo-3-fluoro-2-pyrrolidin-3-ylphenol
CID 84710037
4-chloro-3,5-dimethyl-2-piperidin-4-ylphenol
CID 84800158
4-(3-bromo-6-fluoro-2-methoxyphenyl)piperidine
CID 117465158
4-(6-bromo-3,4-dimethoxy-2-methylphenyl)piperidine
CID 117499633
3-fluoro-4-methoxy-2-piperidin-4-ylphenol
CID 84790129
4-bromo-3,5-dimethyl-2-pyrrolidin-3-ylphenol
CID 84808971
2-chloro-3,5-dimethyl-4-piperidin-4-ylphenol
CID 84701640
3-methyl-2-[(3R)-pyrrolidin-3-yl]phenol
CID 131080650
5-bromo-3-fluoro-2-methoxy-4-piperidin-4-ylphenol
CID 117489232
5-bromo-4-fluoro-2-methoxy-3-piperidin-4-ylphenol
CID 117489235

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-methyl-2-piperidin-4-ylphenol?
The IUPAC name of 4-bromo-3-methyl-2-piperidin-4-ylphenol (CID 84712688) is 4-bromo-3-methyl-2-piperidin-4-ylphenol.
What is the SMILES notation for 4-bromo-3-methyl-2-piperidin-4-ylphenol?
The canonical SMILES for 4-bromo-3-methyl-2-piperidin-4-ylphenol is Cc1c(Br)ccc(O)c1C1CCNCC1.
What is the InChIKey of 4-bromo-3-methyl-2-piperidin-4-ylphenol?
The InChIKey is JCFZPPCLMKBNAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrNO/c1-8-10(13)2-3-11(15)12(8)9-4-6-14-7-5-9/h2-3,9,14-15H,4-7H2,1H3.
What are the key properties of 4-bromo-3-methyl-2-piperidin-4-ylphenol?
4-bromo-3-methyl-2-piperidin-4-ylphenol has a molecular weight of 270.17 g/mol, XLogP of 2.93, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-methyl-2-piperidin-4-ylphenol is sourced from PubChem (CID 84712688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).