2-bromo-6-methoxy-4-[(piperidin-1-ylamino)methyl]phenol

C13H19BrN2O2 — CID 83007367

IUPAC2-bromo-6-methoxy-4-[(piperidin-1-ylamino)methyl]phenol
SMILESCOc1cc(CNN2CCCCC2)cc(Br)c1O
InChIInChI=1S/C13H19BrN2O2/c1-18-12-8-10(7-11(14)13(12)17)9-15-16-5-3-2-4-6-16/h7-8,15,17H,2-6,9H2,1H3
InChIKeyXSVYZJZDDKIJAP-UHFFFAOYSA-N
MW315.21 g/mol
LogP2.65
Rot. Bonds4

About 2-bromo-6-methoxy-4-[(piperidin-1-ylamino)methyl]phenol

2-bromo-6-methoxy-4-[(piperidin-1-ylamino)methyl]phenol (PubChem CID 83007367) has the molecular formula C13H19BrN2O2 and a molecular weight of 315.21 g/mol. Its IUPAC name is 2-bromo-6-methoxy-4-[(piperidin-1-ylamino)methyl]phenol.

Molecular Properties

Compound Name2-bromo-6-methoxy-4-[(piperidin-1-ylamino)methyl]phenol
PubChem CID83007367
Molecular FormulaC13H19BrN2O2
Molecular Weight315.21 g/mol
Exact Mass314.06
IUPAC Name2-bromo-6-methoxy-4-[(piperidin-1-ylamino)methyl]phenol
SMILESCOc1cc(CNN2CCCCC2)cc(Br)c1O
InChIInChI=1S/C13H19BrN2O2/c1-18-12-8-10(7-11(14)13(12)17)9-15-16-5-3-2-4-6-16/h7-8,15,17H,2-6,9H2,1H3
InChIKeyXSVYZJZDDKIJAP-UHFFFAOYSA-N
XLogP2.65
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.21
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3-bromo-4-hydroxy-5-methoxyphenyl)methylamino]-2-(hydroxymethyl)propane-1,3-diol
CID 107851086
2-bromo-6-methoxy-4-[[(2-methoxy-2-methylpropyl)amino]methyl]phenol
CID 115671303
2-bromo-4-[[(1-ethylcyclobutyl)amino]methyl]-6-methoxyphenol
CID 115673879
2-[(3-bromo-4-hydroxy-5-methoxyphenyl)methylamino]-N-propan-2-ylacetamide
CID 43400031
2-bromo-4-[[[(1R)-1-cyclopentylethyl]amino]methyl]-6-methoxyphenol
CID 81394414
2-bromo-6-methoxy-4-[(2-methylpropoxyamino)methyl]phenol
CID 82709629
2-bromo-4-[[[2-(dimethylamino)-2-methylpropyl]amino]methyl]-6-methoxyphenol
CID 28651774
2-bromo-4-[[(3-hydroxycyclohexyl)amino]methyl]-6-methoxyphenol
CID 43751145
2-bromo-6-methoxy-4-[(oxan-4-ylamino)methyl]phenol
CID 43609733
2-bromo-6-methoxy-4-[(oxan-4-ylmethylamino)methyl]phenol
CID 63726270
2-[(3-bromo-4-hydroxy-5-methoxyphenyl)methyl-methylamino]-1-pyrrolidin-1-ylethanone
CID 82957351
N-[(3,5-dibromo-4-methoxyphenyl)methyl]morpholin-4-amine
CID 83010027

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-methoxy-4-[(piperidin-1-ylamino)methyl]phenol?
The IUPAC name of 2-bromo-6-methoxy-4-[(piperidin-1-ylamino)methyl]phenol (CID 83007367) is 2-bromo-6-methoxy-4-[(piperidin-1-ylamino)methyl]phenol.
What is the SMILES notation for 2-bromo-6-methoxy-4-[(piperidin-1-ylamino)methyl]phenol?
The canonical SMILES for 2-bromo-6-methoxy-4-[(piperidin-1-ylamino)methyl]phenol is COc1cc(CNN2CCCCC2)cc(Br)c1O.
What is the InChIKey of 2-bromo-6-methoxy-4-[(piperidin-1-ylamino)methyl]phenol?
The InChIKey is XSVYZJZDDKIJAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2O2/c1-18-12-8-10(7-11(14)13(12)17)9-15-16-5-3-2-4-6-16/h7-8,15,17H,2-6,9H2,1H3.
What are the key properties of 2-bromo-6-methoxy-4-[(piperidin-1-ylamino)methyl]phenol?
2-bromo-6-methoxy-4-[(piperidin-1-ylamino)methyl]phenol has a molecular weight of 315.21 g/mol, XLogP of 2.65, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-methoxy-4-[(piperidin-1-ylamino)methyl]phenol is sourced from PubChem (CID 83007367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).