(3S,4S)-3-(2-fluorophenyl)-1-methyl-4-phenylpiperidin-4-ol

C18H20FNO — CID 54168039

IUPAC(3S,4S)-3-(2-fluorophenyl)-1-methyl-4-phenylpiperidin-4-ol
SMILESCN1CC[C@@](O)(c2ccccc2)[C@@H](c2ccccc2F)C1
InChIInChI=1S/C18H20FNO/c1-20-12-11-18(21,14-7-3-2-4-8-14)16(13-20)15-9-5-6-10-17(15)19/h2-10,16,21H,11-13H2,1H3/t16-,18-/m1/s1
InChIKeyOTALMKNOXJZILS-SJLPKXTDSA-N
MW285.36 g/mol
LogP3.13
Rot. Bonds2

About (3S,4S)-3-(2-fluorophenyl)-1-methyl-4-phenylpiperidin-4-ol

(3S,4S)-3-(2-fluorophenyl)-1-methyl-4-phenylpiperidin-4-ol (PubChem CID 54168039) has the molecular formula C18H20FNO and a molecular weight of 285.36 g/mol. Its IUPAC name is (3S,4S)-3-(2-fluorophenyl)-1-methyl-4-phenylpiperidin-4-ol.

Molecular Properties

Compound Name(3S,4S)-3-(2-fluorophenyl)-1-methyl-4-phenylpiperidin-4-ol
PubChem CID54168039
Molecular FormulaC18H20FNO
Molecular Weight285.36 g/mol
Exact Mass285.15
IUPAC Name(3S,4S)-3-(2-fluorophenyl)-1-methyl-4-phenylpiperidin-4-ol
SMILESCN1CC[C@@](O)(c2ccccc2)[C@@H](c2ccccc2F)C1
InChIInChI=1S/C18H20FNO/c1-20-12-11-18(21,14-7-3-2-4-8-14)16(13-20)15-9-5-6-10-17(15)19/h2-10,16,21H,11-13H2,1H3/t16-,18-/m1/s1
InChIKeyOTALMKNOXJZILS-SJLPKXTDSA-N
XLogP3.13
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.36
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S,4S)-3-(2-fluorophenyl)-1-methyl-4-phenylpiperidin-4-ol?
The IUPAC name of (3S,4S)-3-(2-fluorophenyl)-1-methyl-4-phenylpiperidin-4-ol (CID 54168039) is (3S,4S)-3-(2-fluorophenyl)-1-methyl-4-phenylpiperidin-4-ol.
What is the SMILES notation for (3S,4S)-3-(2-fluorophenyl)-1-methyl-4-phenylpiperidin-4-ol?
The canonical SMILES for (3S,4S)-3-(2-fluorophenyl)-1-methyl-4-phenylpiperidin-4-ol is CN1CC[C@@](O)(c2ccccc2)[C@@H](c2ccccc2F)C1.
What is the InChIKey of (3S,4S)-3-(2-fluorophenyl)-1-methyl-4-phenylpiperidin-4-ol?
The InChIKey is OTALMKNOXJZILS-SJLPKXTDSA-N. The full InChI is InChI=1S/C18H20FNO/c1-20-12-11-18(21,14-7-3-2-4-8-14)16(13-20)15-9-5-6-10-17(15)19/h2-10,16,21H,11-13H2,1H3/t16-,18-/m1/s1.
What are the key properties of (3S,4S)-3-(2-fluorophenyl)-1-methyl-4-phenylpiperidin-4-ol?
(3S,4S)-3-(2-fluorophenyl)-1-methyl-4-phenylpiperidin-4-ol has a molecular weight of 285.36 g/mol, XLogP of 3.13, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-3-(2-fluorophenyl)-1-methyl-4-phenylpiperidin-4-ol is sourced from PubChem (CID 54168039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).