(2S,3R,4S,6R)-3-ethyl-4-(4-fluorophenyl)-2,6-diphenylpiperidin-4-ol

C25H26FNO — CID 1241539

IUPAC(2S,3R,4S,6R)-3-ethyl-4-(4-fluorophenyl)-2,6-diphenylpiperidin-4-ol
SMILESCC[C@@H]1[C@@H](c2ccccc2)N[C@@H](c2ccccc2)C[C@@]1(O)c1ccc(F)cc1
InChIInChI=1S/C25H26FNO/c1-2-22-24(19-11-7-4-8-12-19)27-23(18-9-5-3-6-10-18)17-25(22,28)20-13-15-21(26)16-14-20/h3-16,22-24,27-28H,2,17H2,1H3/t22-,23-,24-,25-/m1/s1
InChIKeyJEKQPZGODPLINH-ZGFBMJKBSA-N
MW375.49 g/mol
LogP5.52
Rot. Bonds4

About (2S,3R,4S,6R)-3-ethyl-4-(4-fluorophenyl)-2,6-diphenylpiperidin-4-ol

(2S,3R,4S,6R)-3-ethyl-4-(4-fluorophenyl)-2,6-diphenylpiperidin-4-ol (PubChem CID 1241539) has the molecular formula C25H26FNO and a molecular weight of 375.49 g/mol. Its IUPAC name is (2S,3R,4S,6R)-3-ethyl-4-(4-fluorophenyl)-2,6-diphenylpiperidin-4-ol.

Molecular Properties

Compound Name(2S,3R,4S,6R)-3-ethyl-4-(4-fluorophenyl)-2,6-diphenylpiperidin-4-ol
PubChem CID1241539
Molecular FormulaC25H26FNO
Molecular Weight375.49 g/mol
Exact Mass375.20
IUPAC Name(2S,3R,4S,6R)-3-ethyl-4-(4-fluorophenyl)-2,6-diphenylpiperidin-4-ol
SMILESCC[C@@H]1[C@@H](c2ccccc2)N[C@@H](c2ccccc2)C[C@@]1(O)c1ccc(F)cc1
InChIInChI=1S/C25H26FNO/c1-2-22-24(19-11-7-4-8-12-19)27-23(18-9-5-3-6-10-18)17-25(22,28)20-13-15-21(26)16-14-20/h3-16,22-24,27-28H,2,17H2,1H3/t22-,23-,24-,25-/m1/s1
InChIKeyJEKQPZGODPLINH-ZGFBMJKBSA-N
XLogP5.52
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.49
LogP ≤ 55.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S,3S,4R,6S)-3-ethyl-4-(2-methoxyphenyl)-2,6-diphenylpiperidin-4-ol
CID 7392932
(2R,3S,4R,6R)-3-ethyl-2,6-diphenyl-4-propylpiperidin-4-ol
CID 1230070
(2S,3R,4R,6S)-3-ethyl-4-(4-fluorophenyl)-2,6-diphenylpiperidin-1-ium-4-ol
CID 7071710
3-ethyl-4-(4-fluorophenyl)-2,6-diphenylpiperidin-1-ium-4-ol chloride
CID 44654644
(2S,3S,4R,6S)-4-(4-fluorophenyl)-1,3-dimethyl-2,6-diphenylpiperidin-1-ium-4-ol
CID 6967268
(2S,3S,4S,6R)-4-butyl-3-methyl-2,6-diphenylpiperidin-4-ol
CID 11903564
(2R,3R,4R,6R)-4-benzyl-3-methyl-2,6-diphenylpiperidin-4-ol
CID 124714824
(2R,3R,4S,6S)-4-benzyl-3-methyl-2,6-diphenylpiperidin-4-ol
CID 98713917
(2R,3S,4R,6S)-2,6-bis(4-methoxyphenyl)-4-(2-phenylethynyl)-3-propylpiperidin-4-ol
CID 41031072
2,6-bis(4-methoxyphenyl)-4-(2-phenylethynyl)-3-propylpiperidin-4-ol;hydrochloride
CID 52998404
(2R,3R,4S,6S)-4-[(2-chlorophenyl)methyl]-3-methyl-2,6-diphenylpiperidin-4-ol
CID 1333836
(NE)-N-[(2R,3R,6S)-3-ethyl-2,6-diphenylpiperidin-4-ylidene]hydroxylamine
CID 7664206

Frequently Asked Questions

What is the IUPAC name of (2S,3R,4S,6R)-3-ethyl-4-(4-fluorophenyl)-2,6-diphenylpiperidin-4-ol?
The IUPAC name of (2S,3R,4S,6R)-3-ethyl-4-(4-fluorophenyl)-2,6-diphenylpiperidin-4-ol (CID 1241539) is (2S,3R,4S,6R)-3-ethyl-4-(4-fluorophenyl)-2,6-diphenylpiperidin-4-ol.
What is the SMILES notation for (2S,3R,4S,6R)-3-ethyl-4-(4-fluorophenyl)-2,6-diphenylpiperidin-4-ol?
The canonical SMILES for (2S,3R,4S,6R)-3-ethyl-4-(4-fluorophenyl)-2,6-diphenylpiperidin-4-ol is CC[C@@H]1[C@@H](c2ccccc2)N[C@@H](c2ccccc2)C[C@@]1(O)c1ccc(F)cc1.
What is the InChIKey of (2S,3R,4S,6R)-3-ethyl-4-(4-fluorophenyl)-2,6-diphenylpiperidin-4-ol?
The InChIKey is JEKQPZGODPLINH-ZGFBMJKBSA-N. The full InChI is InChI=1S/C25H26FNO/c1-2-22-24(19-11-7-4-8-12-19)27-23(18-9-5-3-6-10-18)17-25(22,28)20-13-15-21(26)16-14-20/h3-16,22-24,27-28H,2,17H2,1H3/t22-,23-,24-,25-/m1/s1.
What are the key properties of (2S,3R,4S,6R)-3-ethyl-4-(4-fluorophenyl)-2,6-diphenylpiperidin-4-ol?
(2S,3R,4S,6R)-3-ethyl-4-(4-fluorophenyl)-2,6-diphenylpiperidin-4-ol has a molecular weight of 375.49 g/mol, XLogP of 5.52, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4S,6R)-3-ethyl-4-(4-fluorophenyl)-2,6-diphenylpiperidin-4-ol is sourced from PubChem (CID 1241539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).