2-[[(1-benzylpiperidin-4-yl)amino]methyl]-4-pyridin-2-ylphenol

C24H27N3O — CID 135971342

IUPAC2-[[(1-benzylpiperidin-4-yl)amino]methyl]-4-pyridin-2-ylphenol
SMILESOc1ccc(-c2ccccn2)cc1CNC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C24H27N3O/c28-24-10-9-20(23-8-4-5-13-25-23)16-21(24)17-26-22-11-14-27(15-12-22)18-19-6-2-1-3-7-19/h1-10,13,16,22,26,28H,11-12,14-15,17-18H2
InChIKeyDAXHRUGPVLGMBJ-UHFFFAOYSA-N
MW373.50 g/mol
LogP4.21
Rot. Bonds6

About 2-[[(1-benzylpiperidin-4-yl)amino]methyl]-4-pyridin-2-ylphenol

2-[[(1-benzylpiperidin-4-yl)amino]methyl]-4-pyridin-2-ylphenol (PubChem CID 135971342) has the molecular formula C24H27N3O and a molecular weight of 373.50 g/mol. Its IUPAC name is 2-[[(1-benzylpiperidin-4-yl)amino]methyl]-4-pyridin-2-ylphenol.

Molecular Properties

Compound Name2-[[(1-benzylpiperidin-4-yl)amino]methyl]-4-pyridin-2-ylphenol
PubChem CID135971342
Molecular FormulaC24H27N3O
Molecular Weight373.50 g/mol
Exact Mass373.22
IUPAC Name2-[[(1-benzylpiperidin-4-yl)amino]methyl]-4-pyridin-2-ylphenol
SMILESOc1ccc(-c2ccccn2)cc1CNC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C24H27N3O/c28-24-10-9-20(23-8-4-5-13-25-23)16-21(24)17-26-22-11-14-27(15-12-22)18-19-6-2-1-3-7-19/h1-10,13,16,22,26,28H,11-12,14-15,17-18H2
InChIKeyDAXHRUGPVLGMBJ-UHFFFAOYSA-N
XLogP4.21
TPSA48.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.50
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

2-[(4-phenylpiperidin-1-yl)methyl]-4-pyridin-2-ylphenol
CID 135906345
2-[(1-azabicyclo[2.2.2]octan-3-ylamino)methyl]-4-pyridin-2-ylphenol
CID 135908043
4-[[(1-benzylpiperidin-4-yl)amino]methyl]benzene-1,3-diol
CID 83453608
2-chloro-5-[[4-(pyridin-2-ylmethylamino)piperidin-1-yl]methyl]phenol
CID 71020441
1-benzyl-N-[(4-phenylphenyl)methyl]piperidin-4-amine;dihydrochloride
CID 17159249
1-benzyl-N-[[2-[4-[(cyclopentylamino)methyl]phenyl]phenyl]methyl]piperidin-4-amine
CID 44534713
1-benzyl-N-[(4-phenylphenyl)methyl]azepan-4-amine;ethane
CID 142128621
1-benzyl-N-[(2-bromophenyl)methyl]piperidin-4-amine
CID 23738592
4-[[2-[[(1-benzylpiperidin-4-yl)amino]methyl]phenyl]-(4-hydroxyphenyl)methyl]phenol
CID 57217646
2-[[(2R)-2-ethylpiperidin-1-yl]methyl]-4-pyridin-2-ylphenol
CID 135950417
4-[[(1-benzylpiperidin-4-yl)amino]methyl]pyridin-3-amine
CID 18321349
4-N-[(2-methoxy-5-pyridin-2-ylphenyl)methyl]-1-N-methylcyclohexane-1,4-diamine;dihydrochloride
CID 69165157

Frequently Asked Questions

What is the IUPAC name of 2-[[(1-benzylpiperidin-4-yl)amino]methyl]-4-pyridin-2-ylphenol?
The IUPAC name of 2-[[(1-benzylpiperidin-4-yl)amino]methyl]-4-pyridin-2-ylphenol (CID 135971342) is 2-[[(1-benzylpiperidin-4-yl)amino]methyl]-4-pyridin-2-ylphenol.
What is the SMILES notation for 2-[[(1-benzylpiperidin-4-yl)amino]methyl]-4-pyridin-2-ylphenol?
The canonical SMILES for 2-[[(1-benzylpiperidin-4-yl)amino]methyl]-4-pyridin-2-ylphenol is Oc1ccc(-c2ccccn2)cc1CNC1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 2-[[(1-benzylpiperidin-4-yl)amino]methyl]-4-pyridin-2-ylphenol?
The InChIKey is DAXHRUGPVLGMBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O/c28-24-10-9-20(23-8-4-5-13-25-23)16-21(24)17-26-22-11-14-27(15-12-22)18-19-6-2-1-3-7-19/h1-10,13,16,22,26,28H,11-12,14-15,17-18H2.
What are the key properties of 2-[[(1-benzylpiperidin-4-yl)amino]methyl]-4-pyridin-2-ylphenol?
2-[[(1-benzylpiperidin-4-yl)amino]methyl]-4-pyridin-2-ylphenol has a molecular weight of 373.50 g/mol, XLogP of 4.21, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1-benzylpiperidin-4-yl)amino]methyl]-4-pyridin-2-ylphenol is sourced from PubChem (CID 135971342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).