[1-[[2-[(2,4-difluorophenyl)methylamino]phenyl]methyl]piperidin-4-yl]methanol

C20H24F2N2O — CID 111976965

IUPAC[1-[[2-[(2,4-difluorophenyl)methylamino]phenyl]methyl]piperidin-4-yl]methanol
SMILESOCC1CCN(Cc2ccccc2NCc2ccc(F)cc2F)CC1
InChIInChI=1S/C20H24F2N2O/c21-18-6-5-16(19(22)11-18)12-23-20-4-2-1-3-17(20)13-24-9-7-15(14-25)8-10-24/h1-6,11,15,23,25H,7-10,12-14H2
InChIKeyCRKDABAWNBGHQC-UHFFFAOYSA-N
MW346.42 g/mol
LogP3.78
Rot. Bonds6

About [1-[[2-[(2,4-difluorophenyl)methylamino]phenyl]methyl]piperidin-4-yl]methanol

[1-[[2-[(2,4-difluorophenyl)methylamino]phenyl]methyl]piperidin-4-yl]methanol (PubChem CID 111976965) has the molecular formula C20H24F2N2O and a molecular weight of 346.42 g/mol. Its IUPAC name is [1-[[2-[(2,4-difluorophenyl)methylamino]phenyl]methyl]piperidin-4-yl]methanol.

Molecular Properties

Compound Name[1-[[2-[(2,4-difluorophenyl)methylamino]phenyl]methyl]piperidin-4-yl]methanol
PubChem CID111976965
Molecular FormulaC20H24F2N2O
Molecular Weight346.42 g/mol
Exact Mass346.19
IUPAC Name[1-[[2-[(2,4-difluorophenyl)methylamino]phenyl]methyl]piperidin-4-yl]methanol
SMILESOCC1CCN(Cc2ccccc2NCc2ccc(F)cc2F)CC1
InChIInChI=1S/C20H24F2N2O/c21-18-6-5-16(19(22)11-18)12-23-20-4-2-1-3-17(20)13-24-9-7-15(14-25)8-10-24/h1-6,11,15,23,25H,7-10,12-14H2
InChIKeyCRKDABAWNBGHQC-UHFFFAOYSA-N
XLogP3.78
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.42
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[1-[2-[(2,5-difluorophenyl)methylamino]phenyl]piperidin-4-yl]methanol
CID 75513043
1-[1-[(2,4-difluorophenyl)methyl]piperidin-4-yl]-N-(naphthalen-1-ylmethyl)methanamine
CID 142138954
[1-[(4-chloro-2-fluorophenyl)methyl]piperidin-4-yl]methanol
CID 114858032
[1-[[2-[(1,3-dimethylpyrazol-4-yl)methylamino]phenyl]methyl]piperidin-4-yl]methanol
CID 109482213
[1-[[2-[(5-ethyl-4-methyl-1,2,4-triazol-3-yl)methylamino]phenyl]methyl]piperidin-4-yl]methanol
CID 110932857
[1-[[2-[(5-chloro-1-methylimidazol-2-yl)methylamino]phenyl]methyl]piperidin-4-yl]methanol
CID 111778087
4-chloro-1-[(2,4-difluorophenyl)methyl]piperidine
CID 63389167
1-(2,4-difluorophenyl)-3-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]urea
CID 15989563
[1-[2-[(2-fluoro-5-methylphenyl)methylamino]phenyl]piperidin-4-yl]methanol
CID 110011361
N,N-diethyl-2-[2-[[4-(hydroxymethyl)piperidin-1-yl]methyl]anilino]acetamide
CID 110932866
1-[[1-[(2,4-difluorophenyl)methyl]piperidin-4-yl]methyl]-2-phenylcyclopropan-1-amine
CID 135368122
1-[1-[(2,4-difluorophenyl)methyl]pyrrolidin-3-yl]-N-methylmethanamine
CID 62512142

Frequently Asked Questions

What is the IUPAC name of [1-[[2-[(2,4-difluorophenyl)methylamino]phenyl]methyl]piperidin-4-yl]methanol?
The IUPAC name of [1-[[2-[(2,4-difluorophenyl)methylamino]phenyl]methyl]piperidin-4-yl]methanol (CID 111976965) is [1-[[2-[(2,4-difluorophenyl)methylamino]phenyl]methyl]piperidin-4-yl]methanol.
What is the SMILES notation for [1-[[2-[(2,4-difluorophenyl)methylamino]phenyl]methyl]piperidin-4-yl]methanol?
The canonical SMILES for [1-[[2-[(2,4-difluorophenyl)methylamino]phenyl]methyl]piperidin-4-yl]methanol is OCC1CCN(Cc2ccccc2NCc2ccc(F)cc2F)CC1.
What is the InChIKey of [1-[[2-[(2,4-difluorophenyl)methylamino]phenyl]methyl]piperidin-4-yl]methanol?
The InChIKey is CRKDABAWNBGHQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24F2N2O/c21-18-6-5-16(19(22)11-18)12-23-20-4-2-1-3-17(20)13-24-9-7-15(14-25)8-10-24/h1-6,11,15,23,25H,7-10,12-14H2.
What are the key properties of [1-[[2-[(2,4-difluorophenyl)methylamino]phenyl]methyl]piperidin-4-yl]methanol?
[1-[[2-[(2,4-difluorophenyl)methylamino]phenyl]methyl]piperidin-4-yl]methanol has a molecular weight of 346.42 g/mol, XLogP of 3.78, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[2-[(2,4-difluorophenyl)methylamino]phenyl]methyl]piperidin-4-yl]methanol is sourced from PubChem (CID 111976965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).