2,6-dibromo-4-[[(1-methylpiperidin-2-yl)methylamino]methyl]phenol

C14H20Br2N2O — CID 107740729

IUPAC2,6-dibromo-4-[[(1-methylpiperidin-2-yl)methylamino]methyl]phenol
SMILESCN1CCCCC1CNCc1cc(Br)c(O)c(Br)c1
InChIInChI=1S/C14H20Br2N2O/c1-18-5-3-2-4-11(18)9-17-8-10-6-12(15)14(19)13(16)7-10/h6-7,11,17,19H,2-5,8-9H2,1H3
InChIKeyGUENGAMJPNBTCZ-UHFFFAOYSA-N
MW392.14 g/mol
LogP3.49
Rot. Bonds4

About 2,6-dibromo-4-[[(1-methylpiperidin-2-yl)methylamino]methyl]phenol

2,6-dibromo-4-[[(1-methylpiperidin-2-yl)methylamino]methyl]phenol (PubChem CID 107740729) has the molecular formula C14H20Br2N2O and a molecular weight of 392.14 g/mol. Its IUPAC name is 2,6-dibromo-4-[[(1-methylpiperidin-2-yl)methylamino]methyl]phenol.

Molecular Properties

Compound Name2,6-dibromo-4-[[(1-methylpiperidin-2-yl)methylamino]methyl]phenol
PubChem CID107740729
Molecular FormulaC14H20Br2N2O
Molecular Weight392.14 g/mol
Exact Mass389.99
IUPAC Name2,6-dibromo-4-[[(1-methylpiperidin-2-yl)methylamino]methyl]phenol
SMILESCN1CCCCC1CNCc1cc(Br)c(O)c(Br)c1
InChIInChI=1S/C14H20Br2N2O/c1-18-5-3-2-4-11(18)9-17-8-10-6-12(15)14(19)13(16)7-10/h6-7,11,17,19H,2-5,8-9H2,1H3
InChIKeyGUENGAMJPNBTCZ-UHFFFAOYSA-N
XLogP3.49
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.14
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,6-dimethyl-4-[[(1-methylpyrrolidin-2-yl)methylamino]methyl]phenol
CID 113227167
2-fluoro-4-[[(1-methylpyrrolidin-2-yl)methylamino]methyl]phenol
CID 106023968
N-[(2-bromo-4-methylphenyl)methyl]-1-(1-methylpyrrolidin-2-yl)methanamine
CID 103844959
N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]-1-(1-methylpiperidin-2-yl)methanamine
CID 62095490
4-[[(1-methylpyrrolidin-2-yl)methylamino]methyl]benzene-1,2,3-triol
CID 113357812
N-[(3,4-dimethylphenyl)methyl]-1-(1-methylpyrrolidin-2-yl)methanamine
CID 103626307
N-[(3-methylphenyl)methyl]-1-(1-methylpyrrolidin-2-yl)methanamine;hydrochloride
CID 115593277
1-(1-methylpiperidin-2-yl)-N-[(1-propan-2-ylpyrazol-4-yl)methyl]methanamine
CID 114075415
N-[(3-ethoxyphenyl)methyl]-1-(1-methylpyrrolidin-2-yl)methanamine
CID 113227158
2,6-dibromo-4-[(2-cyclohexylethylamino)methyl]phenol
CID 107740666
5-(hydroxymethyl)-2-methyl-4-[[(1-methylpiperidin-2-yl)methylamino]methyl]pyridin-3-ol
CID 116686364
N-[[4-(2-methylpropyl)phenyl]methyl]-1-(1-methylpyrrolidin-2-yl)methanamine
CID 103748214

Frequently Asked Questions

What is the IUPAC name of 2,6-dibromo-4-[[(1-methylpiperidin-2-yl)methylamino]methyl]phenol?
The IUPAC name of 2,6-dibromo-4-[[(1-methylpiperidin-2-yl)methylamino]methyl]phenol (CID 107740729) is 2,6-dibromo-4-[[(1-methylpiperidin-2-yl)methylamino]methyl]phenol.
What is the SMILES notation for 2,6-dibromo-4-[[(1-methylpiperidin-2-yl)methylamino]methyl]phenol?
The canonical SMILES for 2,6-dibromo-4-[[(1-methylpiperidin-2-yl)methylamino]methyl]phenol is CN1CCCCC1CNCc1cc(Br)c(O)c(Br)c1.
What is the InChIKey of 2,6-dibromo-4-[[(1-methylpiperidin-2-yl)methylamino]methyl]phenol?
The InChIKey is GUENGAMJPNBTCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20Br2N2O/c1-18-5-3-2-4-11(18)9-17-8-10-6-12(15)14(19)13(16)7-10/h6-7,11,17,19H,2-5,8-9H2,1H3.
What are the key properties of 2,6-dibromo-4-[[(1-methylpiperidin-2-yl)methylamino]methyl]phenol?
2,6-dibromo-4-[[(1-methylpiperidin-2-yl)methylamino]methyl]phenol has a molecular weight of 392.14 g/mol, XLogP of 3.49, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dibromo-4-[[(1-methylpiperidin-2-yl)methylamino]methyl]phenol is sourced from PubChem (CID 107740729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).