4-bromo-3-methyl-2-(piperidin-4-ylmethyl)phenol

C13H18BrNO — CID 84812931

IUPAC4-bromo-3-methyl-2-(piperidin-4-ylmethyl)phenol
SMILESCc1c(Br)ccc(O)c1CC1CCNCC1
InChIInChI=1S/C13H18BrNO/c1-9-11(13(16)3-2-12(9)14)8-10-4-6-15-7-5-10/h2-3,10,15-16H,4-8H2,1H3
InChIKeyQYQBRXHXNISGQP-UHFFFAOYSA-N
MW284.20 g/mol
LogP3.01
Rot. Bonds2

About 4-bromo-3-methyl-2-(piperidin-4-ylmethyl)phenol

4-bromo-3-methyl-2-(piperidin-4-ylmethyl)phenol (PubChem CID 84812931) has the molecular formula C13H18BrNO and a molecular weight of 284.20 g/mol. Its IUPAC name is 4-bromo-3-methyl-2-(piperidin-4-ylmethyl)phenol.

Molecular Properties

Compound Name4-bromo-3-methyl-2-(piperidin-4-ylmethyl)phenol
PubChem CID84812931
Molecular FormulaC13H18BrNO
Molecular Weight284.20 g/mol
Exact Mass283.06
IUPAC Name4-bromo-3-methyl-2-(piperidin-4-ylmethyl)phenol
SMILESCc1c(Br)ccc(O)c1CC1CCNCC1
InChIInChI=1S/C13H18BrNO/c1-9-11(13(16)3-2-12(9)14)8-10-4-6-15-7-5-10/h2-3,10,15-16H,4-8H2,1H3
InChIKeyQYQBRXHXNISGQP-UHFFFAOYSA-N
XLogP3.01
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.20
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-fluoro-4-methyl-2-(piperidin-4-ylmethyl)phenol
CID 84789130
4-bromo-6-fluoro-3-methyl-2-(piperidin-4-ylmethyl)phenol
CID 117486676
4-[(6-bromo-2-fluoro-3-methylphenyl)methyl]piperidine
CID 84813696
4-bromo-3-fluoro-2-(pyrrolidin-3-ylmethyl)phenol
CID 84810264
4-bromo-3-methyl-2-piperidin-4-ylphenol
CID 84712688
2-methyl-4-(piperidin-4-ylmethyl)benzene-1,3-diol
CID 84787993
3,6-dimethyl-2-(piperidin-4-ylmethyl)phenol
CID 84786990
4-[(3-bromo-2,6-difluoro-5-methylphenyl)methyl]piperidine
CID 117489284
4-[(6-bromo-3-chloro-2-fluorophenyl)methyl]piperidine
CID 117491842
4-methyl-3-(piperidin-4-ylmethyl)-5,6,7,8-tetrahydronaphthalen-2-ol
CID 117402935
6-bromo-3,4-difluoro-2-(piperidin-4-ylmethyl)phenol
CID 117491239
4-(piperidin-4-ylmethyl)-2,3-dihydro-1H-inden-5-ol
CID 84794766

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-methyl-2-(piperidin-4-ylmethyl)phenol?
The IUPAC name of 4-bromo-3-methyl-2-(piperidin-4-ylmethyl)phenol (CID 84812931) is 4-bromo-3-methyl-2-(piperidin-4-ylmethyl)phenol.
What is the SMILES notation for 4-bromo-3-methyl-2-(piperidin-4-ylmethyl)phenol?
The canonical SMILES for 4-bromo-3-methyl-2-(piperidin-4-ylmethyl)phenol is Cc1c(Br)ccc(O)c1CC1CCNCC1.
What is the InChIKey of 4-bromo-3-methyl-2-(piperidin-4-ylmethyl)phenol?
The InChIKey is QYQBRXHXNISGQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrNO/c1-9-11(13(16)3-2-12(9)14)8-10-4-6-15-7-5-10/h2-3,10,15-16H,4-8H2,1H3.
What are the key properties of 4-bromo-3-methyl-2-(piperidin-4-ylmethyl)phenol?
4-bromo-3-methyl-2-(piperidin-4-ylmethyl)phenol has a molecular weight of 284.20 g/mol, XLogP of 3.01, 2 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-ylmethyl)phenol is sourced from PubChem (CID 84812931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).