(2S)-1-[bis(4-fluorophenyl)methoxy]-3-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]propan-2-ol

C25H34F2N2O2 — CID 31940245

IUPAC(2S)-1-[bis(4-fluorophenyl)methoxy]-3-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]propan-2-ol
SMILESCC1(C)CC(NC[C@H](O)COC(c2ccc(F)cc2)c2ccc(F)cc2)CC(C)(C)N1
InChIInChI=1S/C25H34F2N2O2/c1-24(2)13-21(14-25(3,4)29-24)28-15-22(30)16-31-23(17-5-9-19(26)10-6-17)18-7-11-20(27)12-8-18/h5-12,21-23,28-30H,13-16H2,1-4H3/t22-/m0/s1
InChIKeyZJOMHFUVYNCKBT-QFIPXVFZSA-N
MW432.56 g/mol
LogP4.33
Rot. Bonds8

About (2S)-1-[bis(4-fluorophenyl)methoxy]-3-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]propan-2-ol

(2S)-1-[bis(4-fluorophenyl)methoxy]-3-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]propan-2-ol (PubChem CID 31940245) has the molecular formula C25H34F2N2O2 and a molecular weight of 432.56 g/mol. Its IUPAC name is (2S)-1-[bis(4-fluorophenyl)methoxy]-3-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]propan-2-ol.

Molecular Properties

Compound Name(2S)-1-[bis(4-fluorophenyl)methoxy]-3-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]propan-2-ol
PubChem CID31940245
Molecular FormulaC25H34F2N2O2
Molecular Weight432.56 g/mol
Exact Mass432.26
IUPAC Name(2S)-1-[bis(4-fluorophenyl)methoxy]-3-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]propan-2-ol
SMILESCC1(C)CC(NC[C@H](O)COC(c2ccc(F)cc2)c2ccc(F)cc2)CC(C)(C)N1
InChIInChI=1S/C25H34F2N2O2/c1-24(2)13-21(14-25(3,4)29-24)28-15-22(30)16-31-23(17-5-9-19(26)10-6-17)18-7-11-20(27)12-8-18/h5-12,21-23,28-30H,13-16H2,1-4H3/t22-/m0/s1
InChIKeyZJOMHFUVYNCKBT-QFIPXVFZSA-N
XLogP4.33
TPSA53.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.56
LogP ≤ 54.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (2S)-1-[bis(4-fluorophenyl)methoxy]-3-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]propan-2-ol with MolForge

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Related Compounds

2,6-ditert-butyl-4-[(2S)-2-hydroxy-3-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]propoxy]phenol
CID 1311869
(2S)-1-[bis(4-fluorophenyl)methoxy]-3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propan-2-ol
CID 8009015
1-[bis(4-fluorophenyl)methoxy]-3-[methyl-(1-methylpiperidin-4-yl)amino]propan-2-ol
CID 4876054
1-propan-2-yloxy-3-[(3,3,5,5-tetramethylcyclohexyl)amino]propan-2-ol
CID 103966285
3-[3-[bis(4-fluorophenyl)methoxy]-2-hydroxypropyl]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 16566048
[(2R)-3-[bis(4-fluorophenyl)methoxy]-2-hydroxypropyl]-methyl-(1-methylpiperidin-1-ium-4-yl)azanium
CID 7872763
(2S)-1-(4-fluorophenoxy)-3-(oxan-4-ylamino)propan-2-ol
CID 93386645
N-(2-ethylbutyl)-2,2,6,6-tetramethylpiperidin-4-amine
CID 28674811
N-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]-2,2,6,6-tetramethylpiperidin-4-amine
CID 119154892
N-[(3-fluoro-4-methoxyphenyl)methyl]-2,2,6,6-tetramethylpiperidin-4-amine
CID 60687154
1-(4-fluorophenoxy)-3-[(1-methylpyrrolidin-3-yl)amino]propan-2-ol
CID 61462344
N-[4-[3-[bis(4-fluorophenyl)methoxy]-2-hydroxypropyl]sulfanylphenyl]acetamide
CID 16566055

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[bis(4-fluorophenyl)methoxy]-3-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]propan-2-ol?
The IUPAC name of (2S)-1-[bis(4-fluorophenyl)methoxy]-3-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]propan-2-ol (CID 31940245) is (2S)-1-[bis(4-fluorophenyl)methoxy]-3-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]propan-2-ol.
What is the SMILES notation for (2S)-1-[bis(4-fluorophenyl)methoxy]-3-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]propan-2-ol?
The canonical SMILES for (2S)-1-[bis(4-fluorophenyl)methoxy]-3-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]propan-2-ol is CC1(C)CC(NC[C@H](O)COC(c2ccc(F)cc2)c2ccc(F)cc2)CC(C)(C)N1.
What is the InChIKey of (2S)-1-[bis(4-fluorophenyl)methoxy]-3-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]propan-2-ol?
The InChIKey is ZJOMHFUVYNCKBT-QFIPXVFZSA-N. The full InChI is InChI=1S/C25H34F2N2O2/c1-24(2)13-21(14-25(3,4)29-24)28-15-22(30)16-31-23(17-5-9-19(26)10-6-17)18-7-11-20(27)12-8-18/h5-12,21-23,28-30H,13-16H2,1-4H3/t22-/m0/s1.
What are the key properties of (2S)-1-[bis(4-fluorophenyl)methoxy]-3-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]propan-2-ol?
(2S)-1-[bis(4-fluorophenyl)methoxy]-3-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]propan-2-ol has a molecular weight of 432.56 g/mol, XLogP of 4.33, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[bis(4-fluorophenyl)methoxy]-3-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]propan-2-ol is sourced from PubChem (CID 31940245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).