1-[[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]amino]-3-phenoxypropan-2-ol

C21H26F2N2O2 — CID 141051697

IUPAC1-[[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]amino]-3-phenoxypropan-2-ol
SMILESOC(CNC1CCN(Cc2ccc(F)c(F)c2)CC1)COc1ccccc1
InChIInChI=1S/C21H26F2N2O2/c22-20-7-6-16(12-21(20)23)14-25-10-8-17(9-11-25)24-13-18(26)15-27-19-4-2-1-3-5-19/h1-7,12,17-18,24,26H,8-11,13-15H2
InChIKeyWVVAEHCFPRVIFK-UHFFFAOYSA-N
MW376.45 g/mol
LogP2.96
Rot. Bonds8

About 1-[[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]amino]-3-phenoxypropan-2-ol

1-[[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]amino]-3-phenoxypropan-2-ol (PubChem CID 141051697) has the molecular formula C21H26F2N2O2 and a molecular weight of 376.45 g/mol. Its IUPAC name is 1-[[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]amino]-3-phenoxypropan-2-ol.

Molecular Properties

Compound Name1-[[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]amino]-3-phenoxypropan-2-ol
PubChem CID141051697
Molecular FormulaC21H26F2N2O2
Molecular Weight376.45 g/mol
Exact Mass376.20
IUPAC Name1-[[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]amino]-3-phenoxypropan-2-ol
SMILESOC(CNC1CCN(Cc2ccc(F)c(F)c2)CC1)COc1ccccc1
InChIInChI=1S/C21H26F2N2O2/c22-20-7-6-16(12-21(20)23)14-25-10-8-17(9-11-25)24-13-18(26)15-27-19-4-2-1-3-5-19/h1-7,12,17-18,24,26H,8-11,13-15H2
InChIKeyWVVAEHCFPRVIFK-UHFFFAOYSA-N
XLogP2.96
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.45
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]amino]-3-phenoxypropan-2-ol with MolForge

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Related Compounds

2-[2-[(2S)-3-[[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]amino]-2-hydroxypropoxy]phenyl]acetic acid;bis(2,2,2-trifluoroacetic acid)
CID 87485938
1-[(1-benzylpiperidin-4-yl)amino]-3-(4-ethoxyphenoxy)propan-2-ol
CID 4969396
1-[(1-benzylpiperidin-4-yl)amino]-3-(3-methylphenoxy)propan-2-ol
CID 3633998
1-(cyclopentylamino)-3-(3,4-difluorophenoxy)propan-2-ol
CID 111104815
N-[[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]methyl]cyclopropanamine
CID 82919208
2-[2-[(2S)-3-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]amino]-2-hydroxypropoxy]phenyl]propanoic acid;bis(2,2,2-trifluoroacetic acid)
CID 87486047
1-[4-(3,4-difluorophenoxy)piperidin-1-yl]-3-phenoxypropan-2-ol
CID 141041912
N-[4-chloro-2-[(2R)-3-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]amino]-2-hydroxypropoxy]phenyl]acetamide
CID 67120191
N-[4-fluoro-2-[(2S)-3-[[1-[(4-fluorophenyl)methyl]piperidin-4-yl]amino]-2-hydroxypropoxy]phenyl]acetamide
CID 10159975
2-[(1-benzylpiperidin-4-yl)amino]-1-(2,6-difluorophenyl)ethanol
CID 110896900
(2R)-1-(cyclopentylamino)-3-[4-[(2R)-3-(cyclopentylamino)-2-hydroxypropoxy]phenoxy]propan-2-ol
CID 7454139
1-[(1-benzylpiperidin-4-yl)amino]-3-pyrrolidin-1-ylpropan-2-ol
CID 110885328

Frequently Asked Questions

What is the IUPAC name of 1-[[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]amino]-3-phenoxypropan-2-ol?
The IUPAC name of 1-[[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]amino]-3-phenoxypropan-2-ol (CID 141051697) is 1-[[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]amino]-3-phenoxypropan-2-ol.
What is the SMILES notation for 1-[[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]amino]-3-phenoxypropan-2-ol?
The canonical SMILES for 1-[[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]amino]-3-phenoxypropan-2-ol is OC(CNC1CCN(Cc2ccc(F)c(F)c2)CC1)COc1ccccc1.
What is the InChIKey of 1-[[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]amino]-3-phenoxypropan-2-ol?
The InChIKey is WVVAEHCFPRVIFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26F2N2O2/c22-20-7-6-16(12-21(20)23)14-25-10-8-17(9-11-25)24-13-18(26)15-27-19-4-2-1-3-5-19/h1-7,12,17-18,24,26H,8-11,13-15H2.
What are the key properties of 1-[[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]amino]-3-phenoxypropan-2-ol?
1-[[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]amino]-3-phenoxypropan-2-ol has a molecular weight of 376.45 g/mol, XLogP of 2.96, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]amino]-3-phenoxypropan-2-ol is sourced from PubChem (CID 141051697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).