1-[[2-[[(5-bromo-4-methyl-2-pyridinyl)amino]methyl]phenyl]methyl]piperidin-4-ol

C19H24BrN3O — CID 133403510

IUPAC1-[[2-[[(5-bromo-4-methyl-2-pyridinyl)amino]methyl]phenyl]methyl]piperidin-4-ol
SMILESCc1cc(NCc2ccccc2CN2CCC(O)CC2)ncc1Br
InChIInChI=1S/C19H24BrN3O/c1-14-10-19(22-12-18(14)20)21-11-15-4-2-3-5-16(15)13-23-8-6-17(24)7-9-23/h2-5,10,12,17,24H,6-9,11,13H2,1H3,(H,21,22)
InChIKeyMXNUXNCJJXSEQB-UHFFFAOYSA-N
MW390.33 g/mol
LogP3.72
Rot. Bonds5

About 1-[[2-[[(5-bromo-4-methyl-2-pyridinyl)amino]methyl]phenyl]methyl]piperidin-4-ol

1-[[2-[[(5-bromo-4-methyl-2-pyridinyl)amino]methyl]phenyl]methyl]piperidin-4-ol (PubChem CID 133403510) has the molecular formula C19H24BrN3O and a molecular weight of 390.33 g/mol. Its IUPAC name is 1-[[2-[[(5-bromo-4-methyl-2-pyridinyl)amino]methyl]phenyl]methyl]piperidin-4-ol.

Molecular Properties

Compound Name1-[[2-[[(5-bromo-4-methyl-2-pyridinyl)amino]methyl]phenyl]methyl]piperidin-4-ol
PubChem CID133403510
Molecular FormulaC19H24BrN3O
Molecular Weight390.33 g/mol
Exact Mass389.11
IUPAC Name1-[[2-[[(5-bromo-4-methyl-2-pyridinyl)amino]methyl]phenyl]methyl]piperidin-4-ol
SMILESCc1cc(NCc2ccccc2CN2CCC(O)CC2)ncc1Br
InChIInChI=1S/C19H24BrN3O/c1-14-10-19(22-12-18(14)20)21-11-15-4-2-3-5-16(15)13-23-8-6-17(24)7-9-23/h2-5,10,12,17,24H,6-9,11,13H2,1H3,(H,21,22)
InChIKeyMXNUXNCJJXSEQB-UHFFFAOYSA-N
XLogP3.72
TPSA48.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.33
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[[2-[[(5-bromo-4-methyl-2-pyridinyl)amino]methyl]phenyl]methyl]piperidin-4-ol with MolForge

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Related Compounds

1-[[2-[[(2-methylphenyl)methylamino]methyl]phenyl]methyl]piperidin-4-ol
CID 111778128
5-bromo-4-methyl-N-[[2-(methylsulfonylmethyl)phenyl]methyl]pyridin-2-amine
CID 133403895
1-[[2-[(2,4,5-trimethylphenyl)methylamino]phenyl]methyl]piperidin-4-ol
CID 111432948
1-[[2-[[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]methyl]phenyl]methyl]piperidin-4-ol
CID 133326361
5-bromo-N-[(2,5-dimethylphenyl)methyl]-4-methylpyridin-2-amine
CID 115147105
1-[[2-[[(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]methyl]phenyl]methyl]piperidin-4-ol
CID 133326416
1-[[2-[(cyclopropylmethylamino)methyl]phenyl]methyl]piperidin-4-ol
CID 111778142
N-(5-bromo-4-methyl-2-pyridinyl)-2-(2-methylphenyl)acetamide
CID 79729951
1-[[2-[[(3-chloro-5-nitro-2-pyridinyl)amino]methyl]phenyl]methyl]piperidin-4-ol
CID 133326381
N-(5-bromo-4-methyl-2-pyridinyl)-2-(2-hydroxyphenyl)acetamide
CID 80741257
N-[[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]propanamide
CID 111520289
1-[[1-[(2-methylphenyl)methyl]piperidin-4-yl]methyl]piperidin-4-ol
CID 67960796

Frequently Asked Questions

What is the IUPAC name of 1-[[2-[[(5-bromo-4-methyl-2-pyridinyl)amino]methyl]phenyl]methyl]piperidin-4-ol?
The IUPAC name of 1-[[2-[[(5-bromo-4-methyl-2-pyridinyl)amino]methyl]phenyl]methyl]piperidin-4-ol (CID 133403510) is 1-[[2-[[(5-bromo-4-methyl-2-pyridinyl)amino]methyl]phenyl]methyl]piperidin-4-ol.
What is the SMILES notation for 1-[[2-[[(5-bromo-4-methyl-2-pyridinyl)amino]methyl]phenyl]methyl]piperidin-4-ol?
The canonical SMILES for 1-[[2-[[(5-bromo-4-methyl-2-pyridinyl)amino]methyl]phenyl]methyl]piperidin-4-ol is Cc1cc(NCc2ccccc2CN2CCC(O)CC2)ncc1Br.
What is the InChIKey of 1-[[2-[[(5-bromo-4-methyl-2-pyridinyl)amino]methyl]phenyl]methyl]piperidin-4-ol?
The InChIKey is MXNUXNCJJXSEQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24BrN3O/c1-14-10-19(22-12-18(14)20)21-11-15-4-2-3-5-16(15)13-23-8-6-17(24)7-9-23/h2-5,10,12,17,24H,6-9,11,13H2,1H3,(H,21,22).
What are the key properties of 1-[[2-[[(5-bromo-4-methyl-2-pyridinyl)amino]methyl]phenyl]methyl]piperidin-4-ol?
1-[[2-[[(5-bromo-4-methyl-2-pyridinyl)amino]methyl]phenyl]methyl]piperidin-4-ol has a molecular weight of 390.33 g/mol, XLogP of 3.72, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-[[(5-bromo-4-methyl-2-pyridinyl)amino]methyl]phenyl]methyl]piperidin-4-ol is sourced from PubChem (CID 133403510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).