(3S,4R)-1-[[3-(difluoromethoxy)phenyl]methyl]-4-phenylpiperidin-3-ol

C19H21F2NO2 — CID 162633867

IUPAC(3S,4R)-1-[[3-(difluoromethoxy)phenyl]methyl]-4-phenylpiperidin-3-ol
SMILESO[C@@H]1CN(Cc2cccc(OC(F)F)c2)CC[C@@H]1c1ccccc1
InChIInChI=1S/C19H21F2NO2/c20-19(21)24-16-8-4-5-14(11-16)12-22-10-9-17(18(23)13-22)15-6-2-1-3-7-15/h1-8,11,17-19,23H,9-10,12-13H2/t17-,18-/m1/s1
InChIKeyPTFSJUXDIHIQMX-QZTJIDSGSA-N
MW333.38 g/mol
LogP3.64
Rot. Bonds5

About (3S,4R)-1-[[3-(difluoromethoxy)phenyl]methyl]-4-phenylpiperidin-3-ol

(3S,4R)-1-[[3-(difluoromethoxy)phenyl]methyl]-4-phenylpiperidin-3-ol (PubChem CID 162633867) has the molecular formula C19H21F2NO2 and a molecular weight of 333.38 g/mol. Its IUPAC name is (3S,4R)-1-[[3-(difluoromethoxy)phenyl]methyl]-4-phenylpiperidin-3-ol.

Molecular Properties

Compound Name(3S,4R)-1-[[3-(difluoromethoxy)phenyl]methyl]-4-phenylpiperidin-3-ol
PubChem CID162633867
Molecular FormulaC19H21F2NO2
Molecular Weight333.38 g/mol
Exact Mass333.15
IUPAC Name(3S,4R)-1-[[3-(difluoromethoxy)phenyl]methyl]-4-phenylpiperidin-3-ol
SMILESO[C@@H]1CN(Cc2cccc(OC(F)F)c2)CC[C@@H]1c1ccccc1
InChIInChI=1S/C19H21F2NO2/c20-19(21)24-16-8-4-5-14(11-16)12-22-10-9-17(18(23)13-22)15-6-2-1-3-7-15/h1-8,11,17-19,23H,9-10,12-13H2/t17-,18-/m1/s1
InChIKeyPTFSJUXDIHIQMX-QZTJIDSGSA-N
XLogP3.64
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.38
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R,4R)-1-benzyl-4-phenylpiperidin-3-ol
CID 54282589
(3R,4R)-1-benzyl-4-(3-phenylmethoxyphenyl)piperidin-3-ol
CID 131850383
1-[1-[[3-(difluoromethoxy)phenyl]methyl]piperidin-4-yl]ethanol
CID 111113680
N-[[4-(difluoromethoxy)phenyl]methyl]-1-[(3-phenoxyphenyl)methyl]pyrrolidine-3-carboxamide
CID 118348909
(3R)-1-[[3-(difluoromethoxy)phenyl]methyl]-3-ethylpiperidine
CID 145119200
(3R,4R)-1-benzyl-4-(4-methoxyphenyl)piperidin-3-ol
CID 118207526
1-benzyl-4-(3-hydroxyphenyl)piperidin-3-ol;1-benzyl-4-(3-methoxyphenyl)piperidin-3-ol
CID 161060195
3-[[2-[3-(difluoromethoxy)phenyl]morpholin-4-yl]methyl]benzoic acid
CID 122029359
(3S,4S)-1-[(2-methoxy-4-pyridinyl)methyl]-4-phenylpiperidin-3-ol
CID 163309012
1-[(3-propan-2-yloxyphenyl)methyl]piperidin-4-ol
CID 51086648
3-[[(3S,4S)-3-(hydroxymethyl)-4-phenylpiperidin-1-yl]methyl]benzoic acid
CID 136583635
1-(2-phenoxypropyl)-4-[3-(trifluoromethyl)phenyl]piperidin-3-ol
CID 151955496

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-1-[[3-(difluoromethoxy)phenyl]methyl]-4-phenylpiperidin-3-ol?
The IUPAC name of (3S,4R)-1-[[3-(difluoromethoxy)phenyl]methyl]-4-phenylpiperidin-3-ol (CID 162633867) is (3S,4R)-1-[[3-(difluoromethoxy)phenyl]methyl]-4-phenylpiperidin-3-ol.
What is the SMILES notation for (3S,4R)-1-[[3-(difluoromethoxy)phenyl]methyl]-4-phenylpiperidin-3-ol?
The canonical SMILES for (3S,4R)-1-[[3-(difluoromethoxy)phenyl]methyl]-4-phenylpiperidin-3-ol is O[C@@H]1CN(Cc2cccc(OC(F)F)c2)CC[C@@H]1c1ccccc1.
What is the InChIKey of (3S,4R)-1-[[3-(difluoromethoxy)phenyl]methyl]-4-phenylpiperidin-3-ol?
The InChIKey is PTFSJUXDIHIQMX-QZTJIDSGSA-N. The full InChI is InChI=1S/C19H21F2NO2/c20-19(21)24-16-8-4-5-14(11-16)12-22-10-9-17(18(23)13-22)15-6-2-1-3-7-15/h1-8,11,17-19,23H,9-10,12-13H2/t17-,18-/m1/s1.
What are the key properties of (3S,4R)-1-[[3-(difluoromethoxy)phenyl]methyl]-4-phenylpiperidin-3-ol?
(3S,4R)-1-[[3-(difluoromethoxy)phenyl]methyl]-4-phenylpiperidin-3-ol has a molecular weight of 333.38 g/mol, XLogP of 3.64, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-1-[[3-(difluoromethoxy)phenyl]methyl]-4-phenylpiperidin-3-ol is sourced from PubChem (CID 162633867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).