(3R,4R)-4-(4-fluorophenyl)sulfanyl-1-methyl-3-phenylpiperidine

C18H20FNS — CID 12788484

IUPAC(3R,4R)-4-(4-fluorophenyl)sulfanyl-1-methyl-3-phenylpiperidine
SMILESCN1CC[C@@H](Sc2ccc(F)cc2)[C@H](c2ccccc2)C1
InChIInChI=1S/C18H20FNS/c1-20-12-11-18(21-16-9-7-15(19)8-10-16)17(13-20)14-5-3-2-4-6-14/h2-10,17-18H,11-13H2,1H3/t17-,18+/m0/s1
InChIKeyXKKCVPOMLDUODD-ZWKOTPCHSA-N
MW301.43 g/mol
LogP4.41
Rot. Bonds3

About (3R,4R)-4-(4-fluorophenyl)sulfanyl-1-methyl-3-phenylpiperidine

(3R,4R)-4-(4-fluorophenyl)sulfanyl-1-methyl-3-phenylpiperidine (PubChem CID 12788484) has the molecular formula C18H20FNS and a molecular weight of 301.43 g/mol. Its IUPAC name is (3R,4R)-4-(4-fluorophenyl)sulfanyl-1-methyl-3-phenylpiperidine.

Molecular Properties

Compound Name(3R,4R)-4-(4-fluorophenyl)sulfanyl-1-methyl-3-phenylpiperidine
PubChem CID12788484
Molecular FormulaC18H20FNS
Molecular Weight301.43 g/mol
Exact Mass301.13
IUPAC Name(3R,4R)-4-(4-fluorophenyl)sulfanyl-1-methyl-3-phenylpiperidine
SMILESCN1CC[C@@H](Sc2ccc(F)cc2)[C@H](c2ccccc2)C1
InChIInChI=1S/C18H20FNS/c1-20-12-11-18(21-16-9-7-15(19)8-10-16)17(13-20)14-5-3-2-4-6-14/h2-10,17-18H,11-13H2,1H3/t17-,18+/m0/s1
InChIKeyXKKCVPOMLDUODD-ZWKOTPCHSA-N
XLogP4.41
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.43
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R,4R)-4-(4-fluorophenyl)sulfanyl-1-methyl-3-phenylpiperidine?
The IUPAC name of (3R,4R)-4-(4-fluorophenyl)sulfanyl-1-methyl-3-phenylpiperidine (CID 12788484) is (3R,4R)-4-(4-fluorophenyl)sulfanyl-1-methyl-3-phenylpiperidine.
What is the SMILES notation for (3R,4R)-4-(4-fluorophenyl)sulfanyl-1-methyl-3-phenylpiperidine?
The canonical SMILES for (3R,4R)-4-(4-fluorophenyl)sulfanyl-1-methyl-3-phenylpiperidine is CN1CC[C@@H](Sc2ccc(F)cc2)[C@H](c2ccccc2)C1.
What is the InChIKey of (3R,4R)-4-(4-fluorophenyl)sulfanyl-1-methyl-3-phenylpiperidine?
The InChIKey is XKKCVPOMLDUODD-ZWKOTPCHSA-N. The full InChI is InChI=1S/C18H20FNS/c1-20-12-11-18(21-16-9-7-15(19)8-10-16)17(13-20)14-5-3-2-4-6-14/h2-10,17-18H,11-13H2,1H3/t17-,18+/m0/s1.
What are the key properties of (3R,4R)-4-(4-fluorophenyl)sulfanyl-1-methyl-3-phenylpiperidine?
(3R,4R)-4-(4-fluorophenyl)sulfanyl-1-methyl-3-phenylpiperidine has a molecular weight of 301.43 g/mol, XLogP of 4.41, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-4-(4-fluorophenyl)sulfanyl-1-methyl-3-phenylpiperidine is sourced from PubChem (CID 12788484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).