2-bromo-5-methyl-4-(piperidin-3-ylmethyl)phenol

C13H18BrNO — CID 84812910

IUPAC2-bromo-5-methyl-4-(piperidin-3-ylmethyl)phenol
SMILESCc1cc(O)c(Br)cc1CC1CCCNC1
InChIInChI=1S/C13H18BrNO/c1-9-5-13(16)12(14)7-11(9)6-10-3-2-4-15-8-10/h5,7,10,15-16H,2-4,6,8H2,1H3
InChIKeyWRNSICHHYCUEQE-UHFFFAOYSA-N
MW284.20 g/mol
LogP3.01
Rot. Bonds2

About 2-bromo-5-methyl-4-(piperidin-3-ylmethyl)phenol

2-bromo-5-methyl-4-(piperidin-3-ylmethyl)phenol (PubChem CID 84812910) has the molecular formula C13H18BrNO and a molecular weight of 284.20 g/mol. Its IUPAC name is 2-bromo-5-methyl-4-(piperidin-3-ylmethyl)phenol.

Molecular Properties

Compound Name2-bromo-5-methyl-4-(piperidin-3-ylmethyl)phenol
PubChem CID84812910
Molecular FormulaC13H18BrNO
Molecular Weight284.20 g/mol
Exact Mass283.06
IUPAC Name2-bromo-5-methyl-4-(piperidin-3-ylmethyl)phenol
SMILESCc1cc(O)c(Br)cc1CC1CCCNC1
InChIInChI=1S/C13H18BrNO/c1-9-5-13(16)12(14)7-11(9)6-10-3-2-4-15-8-10/h5,7,10,15-16H,2-4,6,8H2,1H3
InChIKeyWRNSICHHYCUEQE-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

2-chloro-4-methyl-5-(piperidin-3-ylmethyl)phenol
CID 84800060
2-bromo-5-methyl-4-(pyrrolidin-2-ylmethyl)phenol
CID 117428488
5-bromo-3-(piperidin-3-ylmethyl)benzene-1,2-diol
CID 84813511
2,3,6-trimethyl-4-(piperidin-3-ylmethyl)phenol
CID 117117997
3-[(6-methyl-1,3-benzodioxol-5-yl)methyl]piperidine
CID 84796209
3-[(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)methyl]piperidine
CID 82498563
3-[(5-methoxy-2-methylphenyl)methyl]piperidine
CID 84786963
3-[(2-methyl-5-propan-2-ylphenyl)methyl]piperidine
CID 82495631
(3S)-3-[(4,5-dimethylfuran-2-yl)methyl]piperidine
CID 131093396
3-[(2-fluoro-3,5-dimethylphenyl)methyl]piperidine
CID 84788111
3-[(8-methylspiro[2,4-dihydro-1,5-benzodioxepine-3,1'-cyclopropane]-7-yl)methyl]piperidine
CID 117464049
3-[(2-bromo-4-methylphenyl)methyl]pyrrolidine
CID 84804659

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-methyl-4-(piperidin-3-ylmethyl)phenol?
The IUPAC name of 2-bromo-5-methyl-4-(piperidin-3-ylmethyl)phenol (CID 84812910) is 2-bromo-5-methyl-4-(piperidin-3-ylmethyl)phenol.
What is the SMILES notation for 2-bromo-5-methyl-4-(piperidin-3-ylmethyl)phenol?
The canonical SMILES for 2-bromo-5-methyl-4-(piperidin-3-ylmethyl)phenol is Cc1cc(O)c(Br)cc1CC1CCCNC1.
What is the InChIKey of 2-bromo-5-methyl-4-(piperidin-3-ylmethyl)phenol?
The InChIKey is WRNSICHHYCUEQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrNO/c1-9-5-13(16)12(14)7-11(9)6-10-3-2-4-15-8-10/h5,7,10,15-16H,2-4,6,8H2,1H3.
What are the key properties of 2-bromo-5-methyl-4-(piperidin-3-ylmethyl)phenol?
2-bromo-5-methyl-4-(piperidin-3-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 2-bromo-5-methyl-4-(piperidin-3-ylmethyl)phenol is sourced from PubChem (CID 84812910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).