4-[[(1-benzylpiperidin-4-yl)amino]methyl]-2-chloro-5-fluorophenol

C19H22ClFN2O — CID 142099062

IUPAC4-[[(1-benzylpiperidin-4-yl)amino]methyl]-2-chloro-5-fluorophenol
SMILESOc1cc(F)c(CNC2CCN(Cc3ccccc3)CC2)cc1Cl
InChIInChI=1S/C19H22ClFN2O/c20-17-10-15(18(21)11-19(17)24)12-22-16-6-8-23(9-7-16)13-14-4-2-1-3-5-14/h1-5,10-11,16,22,24H,6-9,12-13H2
InChIKeyZVUYHCYYVMWMSM-UHFFFAOYSA-N
MW348.85 g/mol
LogP3.94
Rot. Bonds5

About 4-[[(1-benzylpiperidin-4-yl)amino]methyl]-2-chloro-5-fluorophenol

4-[[(1-benzylpiperidin-4-yl)amino]methyl]-2-chloro-5-fluorophenol (PubChem CID 142099062) has the molecular formula C19H22ClFN2O and a molecular weight of 348.85 g/mol. Its IUPAC name is 4-[[(1-benzylpiperidin-4-yl)amino]methyl]-2-chloro-5-fluorophenol.

Molecular Properties

Compound Name4-[[(1-benzylpiperidin-4-yl)amino]methyl]-2-chloro-5-fluorophenol
PubChem CID142099062
Molecular FormulaC19H22ClFN2O
Molecular Weight348.85 g/mol
Exact Mass348.14
IUPAC Name4-[[(1-benzylpiperidin-4-yl)amino]methyl]-2-chloro-5-fluorophenol
SMILESOc1cc(F)c(CNC2CCN(Cc3ccccc3)CC2)cc1Cl
InChIInChI=1S/C19H22ClFN2O/c20-17-10-15(18(21)11-19(17)24)12-22-16-6-8-23(9-7-16)13-14-4-2-1-3-5-14/h1-5,10-11,16,22,24H,6-9,12-13H2
InChIKeyZVUYHCYYVMWMSM-UHFFFAOYSA-N
XLogP3.94
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.85
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[[(1-benzylpiperidin-4-yl)amino]methyl]-2-chloro-5-fluorophenol?
The IUPAC name of 4-[[(1-benzylpiperidin-4-yl)amino]methyl]-2-chloro-5-fluorophenol (CID 142099062) is 4-[[(1-benzylpiperidin-4-yl)amino]methyl]-2-chloro-5-fluorophenol.
What is the SMILES notation for 4-[[(1-benzylpiperidin-4-yl)amino]methyl]-2-chloro-5-fluorophenol?
The canonical SMILES for 4-[[(1-benzylpiperidin-4-yl)amino]methyl]-2-chloro-5-fluorophenol is Oc1cc(F)c(CNC2CCN(Cc3ccccc3)CC2)cc1Cl.
What is the InChIKey of 4-[[(1-benzylpiperidin-4-yl)amino]methyl]-2-chloro-5-fluorophenol?
The InChIKey is ZVUYHCYYVMWMSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClFN2O/c20-17-10-15(18(21)11-19(17)24)12-22-16-6-8-23(9-7-16)13-14-4-2-1-3-5-14/h1-5,10-11,16,22,24H,6-9,12-13H2.
What are the key properties of 4-[[(1-benzylpiperidin-4-yl)amino]methyl]-2-chloro-5-fluorophenol?
4-[[(1-benzylpiperidin-4-yl)amino]methyl]-2-chloro-5-fluorophenol has a molecular weight of 348.85 g/mol, XLogP of 3.94, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(1-benzylpiperidin-4-yl)amino]methyl]-2-chloro-5-fluorophenol is sourced from PubChem (CID 142099062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).